Entering Gaussian System, Link 0=g16 Input=CPMOTS5-2445.644322=-5,274.600055-2-3-2-2-2-2.gjf Output=CPMOTS5-2445.644322=-5,274.600055-2-3-2-2-2-2.log Initial command: /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271553.inp" -scrdir="/rds/general/user/rzepa/ephemeral/1664151.pbs-7/" Entering Link 1 = /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe PID= 1271554. Copyright (c) 1988-2019, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.01 3-Jul-2019 6-Feb-2026 ****************************************** %NProcShared=128 Will use up to 128 processors via shared memory. %Mem=460800MB %Chk=checkpoint.chk ---------------------------------------- # def2qzvpp mn15l pop(savenbos,nbo7read) ---------------------------------------- 1/38=1,163=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=45,7=202,11=2,25=1,30=1,74=-72/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1,40=2,73=1,113=1,114=1,124=2103/1,12; 99/5=1,9=1/99; -------- CYPTIS10 -------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -1.56079 0.75356 2.09247 C -2.43217 -0.32656 1.71091 C -1.65344 -1.53246 1.59436 C -0.3171 -1.19681 1.95999 C -0.25689 0.18922 2.25539 C -1.13557 0.46841 -2.16499 C -1.84156 1.52169 -1.48338 C -2.95745 0.93742 -0.84133 C -2.97026 -0.46718 -1.14019 C -1.86273 -0.75868 -1.97056 H -1.83993 1.79022 2.26476 H -3.50474 -0.24951 1.55051 H -2.01725 -2.51877 1.31594 H 0.53577 -1.87056 1.95565 H 0.64962 0.73063 2.51435 H -0.20546 0.57792 -2.7166 H -1.55952 2.57149 -1.44621 H -3.65855 1.45572 -0.18931 H -3.68286 -1.19329 -0.75213 H -1.59973 -1.73671 -2.36744 S 0.72731 1.87293 -0.10638 S 2.57679 1.48524 0.63546 S 3.46321 0.12118 -0.62144 S 2.54932 -1.61615 -0.0114 S 0.71224 -1.6658 -0.87375 Mo -0.9917 -0.00589 0.03416 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.560787 0.753560 2.092465 2 6 0 -2.432175 -0.326559 1.710905 3 6 0 -1.653441 -1.532460 1.594357 4 6 0 -0.317102 -1.196811 1.959992 5 6 0 -0.256892 0.189218 2.255393 6 6 0 -1.135568 0.468411 -2.164994 7 6 0 -1.841561 1.521694 -1.483384 8 6 0 -2.957449 0.937423 -0.841328 9 6 0 -2.970263 -0.467179 -1.140192 10 6 0 -1.862728 -0.758682 -1.970561 11 1 0 -1.839931 1.790216 2.264755 12 1 0 -3.504735 -0.249513 1.550509 13 1 0 -2.017254 -2.518771 1.315944 14 1 0 0.535768 -1.870555 1.955654 15 1 0 0.649617 0.730630 2.514351 16 1 0 -0.205461 0.577917 -2.716595 17 1 0 -1.559522 2.571486 -1.446205 18 1 0 -3.658548 1.455722 -0.189313 19 1 0 -3.682859 -1.193295 -0.752132 20 1 0 -1.599730 -1.736714 -2.367437 21 16 0 0.727305 1.872930 -0.106378 22 16 0 2.576786 1.485243 0.635464 23 16 0 3.463212 0.121179 -0.621438 24 16 0 2.549319 -1.616148 -0.011396 25 16 0 0.712237 -1.665802 -0.873753 26 42 0 -0.991698 -0.005887 0.034156 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.439292 0.000000 3 C 2.341492 1.440211 0.000000 4 C 2.316948 2.300634 1.425535 0.000000 5 C 1.430094 2.300945 2.313329 1.418437 0.000000 6 C 4.288132 4.163623 4.290035 4.523092 4.515511 7 C 3.668182 3.737425 4.340016 4.644468 4.273771 8 C 3.254476 2.896111 3.705849 4.401566 4.176422 9 C 3.731876 2.904835 3.216613 4.145210 4.395820 10 C 4.345828 3.750226 3.653926 4.246194 4.619081 11 H 1.087318 2.266768 3.394759 3.366633 2.251509 12 H 2.253621 1.087220 2.252813 3.350530 3.352287 13 H 3.394038 2.265822 1.087512 2.247864 3.363725 14 H 3.361583 3.354476 2.244433 1.086893 2.227289 15 H 2.250422 3.355684 3.357386 2.226407 1.087173 16 H 4.999482 5.037766 5.013446 5.003258 4.987424 17 H 3.978321 4.373503 5.108445 5.229326 4.590629 18 H 3.178072 2.879470 4.016362 4.777102 4.376286 19 H 4.047859 2.895167 3.120830 4.322493 4.763801 20 H 5.108200 4.394812 3.967419 4.545687 5.184880 21 S 3.365006 4.257063 4.489669 3.844994 3.062922 22 S 4.447215 5.434049 5.284016 4.162016 3.511920 23 S 5.745062 6.355775 5.815875 4.763576 4.703186 24 S 5.189867 5.426292 4.499849 3.504081 4.033919 25 S 4.451786 4.285015 3.421371 3.051164 3.764554 26 Mo 2.266552 2.233672 2.280911 2.362673 2.347744 6 7 8 9 10 6 C 0.000000 7 C 1.439591 0.000000 8 C 2.300286 1.413794 0.000000 9 C 2.300359 2.312437 1.436103 0.000000 10 C 1.439557 2.331931 2.313083 1.414610 0.000000 11 H 4.676106 3.757746 3.409377 4.238767 4.943208 12 H 4.464676 3.886879 2.725660 2.751892 3.918338 13 H 4.670927 4.918583 4.181276 3.339141 3.731341 14 H 5.024327 5.383867 5.283031 4.883235 4.733308 15 H 5.015168 4.776362 4.930950 5.281473 5.352043 16 H 1.086901 2.255737 3.349524 3.349836 2.256014 17 H 2.262591 1.087654 2.233884 3.364122 3.384805 18 H 3.353137 2.231684 1.088714 2.252877 3.361755 19 H 3.353526 3.360993 2.252584 1.088865 2.233010 20 H 2.262522 3.384857 3.365029 2.235220 1.087762 21 S 3.111410 2.935743 3.872046 4.496320 4.136282 22 S 4.760051 4.900269 5.754023 6.142854 5.615679 23 S 4.863323 5.553828 6.476071 6.481117 5.564164 24 S 4.749922 5.593981 6.126500 5.749791 4.903033 25 S 3.104280 4.129608 4.499381 3.881816 2.942159 26 Mo 2.254311 2.314886 2.349571 2.346615 2.311771 11 12 13 14 15 11 H 0.000000 12 H 2.728042 0.000000 13 H 4.415773 2.723445 0.000000 14 H 4.375012 4.372366 2.710597 0.000000 15 H 2.717144 4.375878 4.371154 2.662943 0.000000 16 H 5.380986 5.456925 5.397540 5.326758 5.302573 17 H 3.802662 4.552163 5.809449 5.974497 4.894390 18 H 3.072736 2.440997 4.555902 5.766913 5.137688 19 H 4.625941 2.494916 2.967838 5.058419 5.756887 20 H 5.827018 4.603380 3.788566 4.823627 5.914322 21 S 3.495685 5.015995 5.370535 4.278124 2.859913 22 S 4.717519 6.389960 6.131915 4.143674 2.795288 23 S 6.264114 7.308013 6.384222 4.379308 4.256867 24 S 6.004140 6.399907 4.840470 2.826375 3.936449 25 S 5.320513 5.066140 3.601729 2.842289 4.150428 26 Mo 2.986814 2.945171 3.001555 3.082579 3.063942 16 17 18 19 20 16 H 0.000000 17 H 2.724278 0.000000 18 H 4.368238 2.688981 0.000000 19 H 4.369051 4.377656 2.708255 0.000000 20 H 2.724594 4.405777 4.378882 2.691457 0.000000 21 S 3.059468 2.740930 4.406432 5.410017 4.853556 22 S 4.449768 4.756292 6.289715 6.948607 6.069737 23 S 4.249406 5.649080 7.258595 7.267135 5.668656 24 S 4.440815 6.039663 6.928611 6.290273 4.772847 25 S 3.045080 4.841818 5.414437 4.422095 2.753418 26 Mo 2.919868 3.026011 3.049316 3.044755 3.022104 21 22 23 24 25 21 S 0.000000 22 S 2.030077 0.000000 23 S 3.289241 2.055778 0.000000 24 S 3.937312 3.168250 2.055640 0.000000 25 S 3.621010 3.960223 3.290111 2.030023 0.000000 26 Mo 2.550426 3.913964 4.504683 3.890221 2.546176 26 26 Mo 0.000000 Stoichiometry C10H10MoS5 Framework group C1[X(C10H10MoS5)] Deg. of freedom 72 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.560787 0.753560 2.092465 2 6 0 -2.432175 -0.326559 1.710905 3 6 0 -1.653441 -1.532460 1.594357 4 6 0 -0.317102 -1.196811 1.959992 5 6 0 -0.256892 0.189218 2.255393 6 6 0 -1.135568 0.468411 -2.164994 7 6 0 -1.841561 1.521694 -1.483384 8 6 0 -2.957449 0.937423 -0.841328 9 6 0 -2.970263 -0.467179 -1.140192 10 6 0 -1.862728 -0.758682 -1.970561 11 1 0 -1.839931 1.790216 2.264755 12 1 0 -3.504735 -0.249513 1.550509 13 1 0 -2.017254 -2.518771 1.315944 14 1 0 0.535768 -1.870555 1.955654 15 1 0 0.649617 0.730630 2.514351 16 1 0 -0.205461 0.577917 -2.716595 17 1 0 -1.559522 2.571486 -1.446205 18 1 0 -3.658548 1.455722 -0.189313 19 1 0 -3.682859 -1.193295 -0.752132 20 1 0 -1.599730 -1.736714 -2.367437 21 16 0 0.727305 1.872930 -0.106378 22 16 0 2.576786 1.485243 0.635464 23 16 0 3.463212 0.121179 -0.621438 24 16 0 2.549319 -1.616148 -0.011396 25 16 0 0.712237 -1.665802 -0.873753 26 42 0 -0.991698 -0.005887 0.034156 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5312580 0.2669111 0.2636666 Standard basis: def2QZVPP (5D, 7F) There are 1606 symmetry adapted cartesian basis functions of A symmetry. There are 1301 symmetry adapted basis functions of A symmetry. 1301 basis functions, 2040 primitive gaussians, 1606 cartesian basis functions 82 alpha electrons 82 beta electrons nuclear repulsion energy 2021.1599441576 Hartrees. NAtoms= 26 NActive= 26 NUniq= 26 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 80601 NPrTT= 215035 LenC2= 71164 LenP2D= 139087. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1301 RedAO= T EigKep= 1.01D-05 NBF= 1301 NBsUse= 1301 1.00D-06 EigRej= -1.00D+00 NBFU= 1301 Defaulting to unpruned grid for atomic number 42. ExpMin= 2.10D-02 ExpMax= 1.27D+06 ExpMxC= 1.45D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Defaulting to unpruned grid for atomic number 42. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. EnCoef did 100 forward-backward iterations EnCoef did 20 forward-backward iterations EnCoef did 14 forward-backward iterations EnCoef did 2 forward-backward iterations EnCoef did 2 forward-backward iterations SCF Done: E(RMN15L) = -2446.13974159 A.U. after 19 cycles NFock= 19 Conv=0.46D-08 -V/T= 2.0194 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -88.64943 -88.64893 -88.64854 -88.61048 -88.60990 Alpha occ. eigenvalues -- -10.24506 -10.24469 -10.23827 -10.23386 -10.23369 Alpha occ. eigenvalues -- -10.23077 -10.22947 -10.22935 -10.22813 -10.22226 Alpha occ. eigenvalues -- -7.95016 -7.94987 -7.94968 -7.91350 -7.91290 Alpha occ. eigenvalues -- -5.89066 -5.89028 -5.89006 -5.88601 -5.88590 Alpha occ. eigenvalues -- -5.88548 -5.87831 -5.87785 -5.87781 -5.85411 Alpha occ. eigenvalues -- -5.85352 -5.84772 -5.84710 -5.84266 -5.84205 Alpha occ. eigenvalues -- -2.60332 -1.61092 -1.58943 -1.57322 -0.93265 Alpha occ. eigenvalues -- -0.91688 -0.80495 -0.75570 -0.75360 -0.74898 Alpha occ. eigenvalues -- -0.74289 -0.74253 -0.67599 -0.59250 -0.57550 Alpha occ. eigenvalues -- -0.56763 -0.56379 -0.55956 -0.55448 -0.54118 Alpha occ. eigenvalues -- -0.52142 -0.43756 -0.42383 -0.41818 -0.41573 Alpha occ. eigenvalues -- -0.41246 -0.40048 -0.39863 -0.39661 -0.39166 Alpha occ. eigenvalues -- -0.38754 -0.38349 -0.36429 -0.35311 -0.32408 Alpha occ. eigenvalues -- -0.30872 -0.30817 -0.30277 -0.28571 -0.27543 Alpha occ. eigenvalues -- -0.27316 -0.25234 -0.23067 -0.20770 -0.19919 Alpha occ. eigenvalues -- -0.19515 -0.16163 Alpha virt. eigenvalues -- -0.07992 -0.07526 -0.06512 -0.05334 -0.03494 Alpha virt. eigenvalues -- -0.03197 -0.02997 -0.01120 -0.00782 -0.00482 Alpha virt. eigenvalues -- -0.00391 0.00799 0.01353 0.01508 0.02022 Alpha virt. eigenvalues -- 0.02373 0.03134 0.04006 0.04173 0.05388 Alpha virt. eigenvalues -- 0.05722 0.06333 0.08155 0.08540 0.08671 Alpha virt. eigenvalues -- 0.09427 0.10358 0.10629 0.11175 0.11387 Alpha virt. eigenvalues -- 0.11969 0.12057 0.12275 0.12826 0.13274 Alpha virt. eigenvalues -- 0.13293 0.13732 0.14410 0.14539 0.14875 Alpha virt. eigenvalues -- 0.14962 0.15589 0.15619 0.16313 0.16666 Alpha virt. eigenvalues -- 0.17360 0.17400 0.18341 0.18627 0.19457 Alpha virt. eigenvalues -- 0.19577 0.20309 0.21058 0.21239 0.21543 Alpha virt. eigenvalues -- 0.21855 0.22024 0.22683 0.23591 0.23755 Alpha virt. eigenvalues -- 0.24205 0.24392 0.24701 0.24996 0.25964 Alpha virt. eigenvalues -- 0.26213 0.26511 0.27117 0.27752 0.28007 Alpha virt. eigenvalues -- 0.28267 0.28836 0.29150 0.29448 0.29598 Alpha virt. eigenvalues -- 0.30672 0.30854 0.31474 0.31896 0.32460 Alpha virt. eigenvalues -- 0.32478 0.33043 0.33269 0.33885 0.34395 Alpha virt. eigenvalues -- 0.34899 0.35090 0.36154 0.36196 0.37195 Alpha virt. eigenvalues -- 0.37603 0.38833 0.39267 0.40289 0.40641 Alpha virt. eigenvalues -- 0.40972 0.41057 0.41740 0.42204 0.42761 Alpha virt. eigenvalues -- 0.43383 0.43600 0.44043 0.44114 0.44352 Alpha virt. eigenvalues -- 0.44567 0.44826 0.44989 0.45175 0.45764 Alpha virt. eigenvalues -- 0.46004 0.46740 0.47261 0.47648 0.48001 Alpha virt. eigenvalues -- 0.48777 0.49440 0.49540 0.49967 0.50040 Alpha virt. eigenvalues -- 0.50992 0.51982 0.52586 0.52900 0.53635 Alpha virt. eigenvalues -- 0.54014 0.54543 0.55453 0.55599 0.55990 Alpha virt. eigenvalues -- 0.56563 0.56721 0.57530 0.58539 0.58652 Alpha virt. eigenvalues -- 0.58765 0.59875 0.61202 0.61416 0.62503 Alpha virt. eigenvalues -- 0.62807 0.63476 0.64436 0.65982 0.66400 Alpha virt. eigenvalues -- 0.67199 0.67253 0.68850 0.69228 0.70050 Alpha virt. eigenvalues -- 0.71112 0.71773 0.73231 0.73399 0.74287 Alpha virt. eigenvalues -- 0.74486 0.74670 0.75004 0.75496 0.76962 Alpha virt. eigenvalues -- 0.77277 0.77726 0.78120 0.79622 0.79864 Alpha virt. eigenvalues -- 0.80964 0.81097 0.81641 0.81872 0.82756 Alpha virt. eigenvalues -- 0.83061 0.84018 0.84382 0.84746 0.85098 Alpha virt. eigenvalues -- 0.85687 0.85884 0.86275 0.86792 0.88102 Alpha virt. eigenvalues -- 0.88456 0.88756 0.89143 0.89887 0.90563 Alpha virt. eigenvalues -- 0.91424 0.91849 0.91935 0.92653 0.92888 Alpha virt. eigenvalues -- 0.93337 0.94051 0.94796 0.95267 0.95729 Alpha virt. eigenvalues -- 0.96025 0.96561 0.97230 0.97666 0.98245 Alpha virt. eigenvalues -- 0.98704 0.98997 0.99328 1.00001 1.00737 Alpha virt. eigenvalues -- 1.01064 1.02353 1.03527 1.03675 1.04264 Alpha virt. eigenvalues -- 1.04747 1.04975 1.05464 1.06039 1.07114 Alpha virt. eigenvalues -- 1.07837 1.08003 1.08792 1.09234 1.09673 Alpha virt. eigenvalues -- 1.10607 1.11148 1.11422 1.11517 1.11971 Alpha virt. eigenvalues -- 1.12250 1.12956 1.13093 1.13932 1.14285 Alpha virt. eigenvalues -- 1.14566 1.14952 1.15528 1.16313 1.16597 Alpha virt. eigenvalues -- 1.16967 1.17397 1.17920 1.18264 1.18846 Alpha virt. eigenvalues -- 1.19013 1.19174 1.19606 1.19795 1.20013 Alpha virt. eigenvalues -- 1.20944 1.21605 1.22047 1.22400 1.23052 Alpha virt. eigenvalues -- 1.23955 1.24367 1.24419 1.24935 1.25252 Alpha virt. eigenvalues -- 1.25948 1.26105 1.26927 1.27310 1.27825 Alpha virt. eigenvalues -- 1.28008 1.28274 1.29730 1.29889 1.31017 Alpha virt. eigenvalues -- 1.32058 1.32603 1.32655 1.34106 1.34331 Alpha virt. eigenvalues -- 1.35073 1.36024 1.36132 1.37163 1.38016 Alpha virt. eigenvalues -- 1.38469 1.39752 1.40556 1.40904 1.41679 Alpha virt. eigenvalues -- 1.41771 1.42756 1.43847 1.44195 1.44534 Alpha virt. eigenvalues -- 1.44751 1.45524 1.45988 1.47327 1.47822 Alpha virt. eigenvalues -- 1.48176 1.48911 1.49049 1.49247 1.49627 Alpha virt. eigenvalues -- 1.50445 1.51007 1.53316 1.53807 1.54591 Alpha virt. eigenvalues -- 1.55052 1.55565 1.56888 1.57438 1.58339 Alpha virt. eigenvalues -- 1.58780 1.59078 1.59765 1.60312 1.61042 Alpha virt. eigenvalues -- 1.61606 1.62572 1.63751 1.64328 1.64803 Alpha virt. eigenvalues -- 1.65072 1.65943 1.66069 1.68571 1.68860 Alpha virt. eigenvalues -- 1.69339 1.69606 1.70715 1.71208 1.71651 Alpha virt. eigenvalues -- 1.73675 1.73783 1.74856 1.75201 1.77305 Alpha virt. eigenvalues -- 1.77702 1.78824 1.80930 1.81299 1.82222 Alpha virt. eigenvalues -- 1.82549 1.83291 1.83973 1.84830 1.85378 Alpha virt. eigenvalues -- 1.86064 1.86872 1.87207 1.88352 1.88875 Alpha virt. eigenvalues -- 1.89701 1.90219 1.90359 1.91360 1.92108 Alpha virt. eigenvalues -- 1.93195 1.93520 1.94178 1.95063 1.95478 Alpha virt. eigenvalues -- 1.95870 1.96964 1.97230 1.97925 1.98594 Alpha virt. eigenvalues -- 1.99326 1.99812 2.00333 2.00577 2.01938 Alpha virt. eigenvalues -- 2.02646 2.02769 2.03228 2.04173 2.04574 Alpha virt. eigenvalues -- 2.04961 2.06126 2.07130 2.07452 2.09093 Alpha virt. eigenvalues -- 2.09145 2.09902 2.11462 2.11621 2.12335 Alpha virt. eigenvalues -- 2.13371 2.13828 2.15337 2.16620 2.17336 Alpha virt. eigenvalues -- 2.17569 2.19021 2.19876 2.20191 2.21448 Alpha virt. eigenvalues -- 2.21785 2.22119 2.22382 2.22789 2.24474 Alpha virt. eigenvalues -- 2.25298 2.26084 2.27815 2.28289 2.29627 Alpha virt. eigenvalues -- 2.30616 2.31330 2.32428 2.32886 2.33633 Alpha virt. eigenvalues -- 2.34232 2.35123 2.36417 2.37211 2.37444 Alpha virt. eigenvalues -- 2.39109 2.39496 2.40180 2.40653 2.41502 Alpha virt. eigenvalues -- 2.42699 2.43540 2.45214 2.45843 2.46323 Alpha virt. eigenvalues -- 2.47175 2.49193 2.49563 2.50071 2.50390 Alpha virt. eigenvalues -- 2.52286 2.52992 2.53297 2.53750 2.54208 Alpha virt. eigenvalues -- 2.54746 2.55588 2.56384 2.57115 2.58631 Alpha virt. eigenvalues -- 2.59188 2.60224 2.61024 2.61853 2.63252 Alpha virt. eigenvalues -- 2.64442 2.64507 2.64750 2.66157 2.66697 Alpha virt. eigenvalues -- 2.66918 2.68573 2.69048 2.70597 2.70961 Alpha virt. eigenvalues -- 2.71071 2.71350 2.72947 2.73111 2.74491 Alpha virt. eigenvalues -- 2.76792 2.77197 2.77832 2.77974 2.78349 Alpha virt. eigenvalues -- 2.78767 2.79110 2.80204 2.80904 2.81249 Alpha virt. eigenvalues -- 2.81880 2.82580 2.82958 2.83847 2.84233 Alpha virt. eigenvalues -- 2.84478 2.85122 2.85679 2.86630 2.87102 Alpha virt. eigenvalues -- 2.87842 2.88258 2.88881 2.89122 2.89949 Alpha virt. eigenvalues -- 2.90458 2.90766 2.91259 2.91847 2.92396 Alpha virt. eigenvalues -- 2.92883 2.93233 2.93346 2.94497 2.94835 Alpha virt. eigenvalues -- 2.95533 2.95653 2.96558 2.97699 2.98417 Alpha virt. eigenvalues -- 2.98687 2.99253 2.99547 3.00088 3.00632 Alpha virt. eigenvalues -- 3.01108 3.01781 3.02925 3.04296 3.04406 Alpha virt. eigenvalues -- 3.04463 3.05269 3.05591 3.06077 3.06623 Alpha virt. eigenvalues -- 3.07125 3.07317 3.07750 3.08695 3.08753 Alpha virt. eigenvalues -- 3.08913 3.09222 3.09489 3.10174 3.10492 Alpha virt. eigenvalues -- 3.10898 3.11292 3.11724 3.12384 3.12545 Alpha virt. eigenvalues -- 3.13001 3.13193 3.14049 3.15230 3.15390 Alpha virt. eigenvalues -- 3.15867 3.16299 3.17068 3.17971 3.19031 Alpha virt. eigenvalues -- 3.19314 3.19963 3.20435 3.20784 3.21881 Alpha virt. eigenvalues -- 3.22224 3.22289 3.23072 3.23229 3.24227 Alpha virt. eigenvalues -- 3.25421 3.26907 3.27188 3.27962 3.28456 Alpha virt. eigenvalues -- 3.29044 3.29384 3.30932 3.31640 3.32683 Alpha virt. eigenvalues -- 3.33017 3.33912 3.34318 3.34605 3.35358 Alpha virt. eigenvalues -- 3.35786 3.35930 3.37254 3.38065 3.38315 Alpha virt. eigenvalues -- 3.38544 3.39298 3.39993 3.41119 3.41460 Alpha virt. eigenvalues -- 3.42018 3.42429 3.43171 3.43516 3.44746 Alpha virt. eigenvalues -- 3.45170 3.46049 3.47262 3.48093 3.49333 Alpha virt. eigenvalues -- 3.49539 3.50662 3.50777 3.52032 3.52086 Alpha virt. eigenvalues -- 3.53333 3.54510 3.55389 3.55410 3.57002 Alpha virt. eigenvalues -- 3.57688 3.58277 3.59387 3.59797 3.60142 Alpha virt. eigenvalues -- 3.60747 3.60757 3.63353 3.64350 3.64938 Alpha virt. eigenvalues -- 3.66463 3.66931 3.68077 3.68327 3.69290 Alpha virt. eigenvalues -- 3.70457 3.71046 3.71441 3.72342 3.72957 Alpha virt. eigenvalues -- 3.73915 3.74309 3.74992 3.76617 3.76711 Alpha virt. eigenvalues -- 3.77738 3.78072 3.78744 3.78841 3.80011 Alpha virt. eigenvalues -- 3.80925 3.81721 3.81873 3.82157 3.82784 Alpha virt. eigenvalues -- 3.83244 3.84150 3.85412 3.85942 3.86776 Alpha virt. eigenvalues -- 3.87156 3.88527 3.88725 3.88956 3.89937 Alpha virt. eigenvalues -- 3.89999 3.91137 3.91515 3.92078 3.93219 Alpha virt. eigenvalues -- 3.93311 3.93604 3.94546 3.95949 3.96391 Alpha virt. eigenvalues -- 3.96864 3.97543 3.97905 3.99534 3.99651 Alpha virt. eigenvalues -- 4.00713 4.00893 4.01947 4.02060 4.04422 Alpha virt. eigenvalues -- 4.05687 4.06674 4.08215 4.08499 4.08719 Alpha virt. eigenvalues -- 4.09556 4.10158 4.10845 4.12242 4.12772 Alpha virt. eigenvalues -- 4.13762 4.15471 4.16304 4.16531 4.17544 Alpha virt. eigenvalues -- 4.17803 4.18397 4.18599 4.20248 4.21525 Alpha virt. eigenvalues -- 4.23385 4.24499 4.25759 4.26069 4.27283 Alpha virt. eigenvalues -- 4.28242 4.28519 4.34251 4.34704 4.35886 Alpha virt. eigenvalues -- 4.37932 4.38984 4.41920 4.42494 4.43101 Alpha virt. eigenvalues -- 4.47011 4.47418 4.48822 4.49121 4.51632 Alpha virt. eigenvalues -- 4.53728 4.55267 4.57160 4.60330 4.60859 Alpha virt. eigenvalues -- 4.65292 4.68264 4.69572 4.70092 4.70417 Alpha virt. eigenvalues -- 4.72171 4.74904 4.76034 4.76082 4.79007 Alpha virt. eigenvalues -- 4.79357 4.79839 4.81681 4.82586 4.83106 Alpha virt. eigenvalues -- 4.84054 4.85381 4.87002 4.87349 4.89854 Alpha virt. eigenvalues -- 4.90468 4.91009 4.94038 4.94337 4.95847 Alpha virt. eigenvalues -- 4.97977 4.98422 4.99263 5.00585 5.01624 Alpha virt. eigenvalues -- 5.02511 5.05054 5.07228 5.10689 5.11307 Alpha virt. eigenvalues -- 5.11865 5.13737 5.14784 5.17816 5.18947 Alpha virt. eigenvalues -- 5.21743 5.22327 5.24666 5.27639 5.30204 Alpha virt. eigenvalues -- 5.32132 5.33373 5.36883 5.38765 5.42622 Alpha virt. eigenvalues -- 5.43223 5.44863 5.45852 5.46197 5.46446 Alpha virt. eigenvalues -- 5.47197 5.47767 5.48681 5.49237 5.50683 Alpha virt. eigenvalues -- 5.52291 5.52767 5.55311 5.57676 5.58174 Alpha virt. eigenvalues -- 5.59296 5.59729 5.60366 5.63442 5.63851 Alpha virt. eigenvalues -- 5.65280 5.65659 5.68336 5.69012 5.71183 Alpha virt. eigenvalues -- 5.72539 5.72730 5.74518 5.76689 5.77991 Alpha virt. eigenvalues -- 5.79730 5.82458 5.85171 5.87321 5.90076 Alpha virt. eigenvalues -- 5.91557 5.93351 5.94531 5.95858 5.96677 Alpha virt. eigenvalues -- 5.98098 5.99098 6.00704 6.01448 6.03966 Alpha virt. eigenvalues -- 6.05895 6.06581 6.07209 6.08751 6.09086 Alpha virt. eigenvalues -- 6.10751 6.11811 6.12373 6.14109 6.16702 Alpha virt. eigenvalues -- 6.17756 6.18654 6.19883 6.21438 6.22878 Alpha virt. eigenvalues -- 6.24938 6.26674 6.26981 6.28062 6.28436 Alpha virt. eigenvalues -- 6.29138 6.30971 6.31241 6.33028 6.33746 Alpha virt. eigenvalues -- 6.33829 6.34637 6.35862 6.38570 6.38800 Alpha virt. eigenvalues -- 6.44367 6.49453 6.49900 6.51717 6.52356 Alpha virt. eigenvalues -- 6.53040 6.53179 6.54300 6.55584 6.57052 Alpha virt. eigenvalues -- 6.57754 6.58129 6.59233 6.59689 6.60379 Alpha virt. eigenvalues -- 6.60618 6.61704 6.62493 6.63324 6.64546 Alpha virt. eigenvalues -- 6.64856 6.67438 6.67587 6.68632 6.69603 Alpha virt. eigenvalues -- 6.71127 6.72192 6.72994 6.73556 6.73619 Alpha virt. eigenvalues -- 6.74938 6.75631 6.75830 6.77018 6.77400 Alpha virt. eigenvalues -- 6.78088 6.79635 6.80580 6.80767 6.81631 Alpha virt. eigenvalues -- 6.81777 6.82030 6.82654 6.83275 6.85426 Alpha virt. eigenvalues -- 6.86086 6.86953 6.87236 6.89416 6.90643 Alpha virt. eigenvalues -- 6.91367 6.92407 6.92929 6.93482 6.93798 Alpha virt. eigenvalues -- 6.95500 6.97050 6.98829 7.00646 7.00783 Alpha virt. eigenvalues -- 7.02416 7.04247 7.04896 7.05208 7.05566 Alpha virt. eigenvalues -- 7.07212 7.07389 7.07642 7.08317 7.08928 Alpha virt. eigenvalues -- 7.09605 7.10295 7.10532 7.10564 7.11423 Alpha virt. eigenvalues -- 7.11700 7.12457 7.13538 7.14729 7.15696 Alpha virt. eigenvalues -- 7.16521 7.17442 7.19177 7.21066 7.21431 Alpha virt. eigenvalues -- 7.21699 7.24342 7.26523 7.28546 7.30564 Alpha virt. eigenvalues -- 7.30801 7.31917 7.32443 7.32900 7.34223 Alpha virt. eigenvalues -- 7.34939 7.36297 7.36635 7.37069 7.41218 Alpha virt. eigenvalues -- 7.43212 7.44697 7.44899 7.46208 7.48358 Alpha virt. eigenvalues -- 7.49057 7.49906 7.50579 7.51196 7.52144 Alpha virt. eigenvalues -- 7.52452 7.52751 7.55342 7.56352 7.56518 Alpha virt. eigenvalues -- 7.57925 7.58811 7.60368 7.61719 7.61854 Alpha virt. eigenvalues -- 7.65137 7.77089 7.85015 7.86055 7.86890 Alpha virt. eigenvalues -- 7.88569 7.90059 7.91712 7.94788 7.95459 Alpha virt. eigenvalues -- 7.97062 7.99705 8.03133 8.04257 8.05168 Alpha virt. eigenvalues -- 8.08903 8.12066 8.17210 8.18114 8.19617 Alpha virt. eigenvalues -- 8.20003 8.20921 8.22139 8.22898 8.28729 Alpha virt. eigenvalues -- 8.29214 8.29474 8.29900 8.32318 8.33962 Alpha virt. eigenvalues -- 8.35760 8.36151 8.37553 8.38224 8.38492 Alpha virt. eigenvalues -- 8.40432 8.42965 8.43178 8.44624 8.46553 Alpha virt. eigenvalues -- 8.49050 8.49352 8.50234 8.50434 8.52160 Alpha virt. eigenvalues -- 8.54287 8.55813 8.56936 8.62681 8.63794 Alpha virt. eigenvalues -- 8.64872 8.64913 8.65345 8.65846 8.67154 Alpha virt. eigenvalues -- 8.67392 8.69464 8.71447 8.74459 8.75361 Alpha virt. eigenvalues -- 8.80565 8.82579 8.82863 8.84646 8.85517 Alpha virt. eigenvalues -- 8.86512 8.87376 8.87540 8.88341 8.88720 Alpha virt. eigenvalues -- 8.89598 8.89691 8.90095 8.90362 8.90824 Alpha virt. eigenvalues -- 8.91767 8.92148 8.93799 8.94150 8.96206 Alpha virt. eigenvalues -- 8.98927 9.00094 9.04943 9.06619 9.07566 Alpha virt. eigenvalues -- 9.08143 9.08532 9.08944 9.09791 9.10041 Alpha virt. eigenvalues -- 9.10460 9.11105 9.11870 9.12167 9.12237 Alpha virt. eigenvalues -- 9.13225 9.14215 9.15226 9.15856 9.16230 Alpha virt. eigenvalues -- 9.16367 9.16797 9.17602 9.18572 9.19166 Alpha virt. eigenvalues -- 9.20609 9.20929 9.21215 9.23283 9.23481 Alpha virt. eigenvalues -- 9.23960 9.25122 9.27031 9.28149 9.28816 Alpha virt. eigenvalues -- 9.29374 9.30229 9.31276 9.32131 9.32946 Alpha virt. eigenvalues -- 9.36285 9.40035 9.41888 9.44786 9.45668 Alpha virt. eigenvalues -- 9.46112 9.47012 9.47287 9.48401 9.48863 Alpha virt. eigenvalues -- 9.49053 9.50120 9.51543 9.52173 9.55442 Alpha virt. eigenvalues -- 9.55767 9.56901 9.57759 9.60133 9.64165 Alpha virt. eigenvalues -- 9.64685 9.65784 9.67207 9.68135 9.68963 Alpha virt. eigenvalues -- 9.71268 9.73709 9.76422 9.81828 9.82642 Alpha virt. eigenvalues -- 9.83919 9.85161 9.88366 9.89717 9.90648 Alpha virt. eigenvalues -- 9.90858 9.91077 9.99484 10.08535 10.19512 Alpha virt. eigenvalues -- 10.19681 10.20479 10.22110 10.23166 10.23566 Alpha virt. eigenvalues -- 10.26625 10.27580 10.27876 10.28877 10.31528 Alpha virt. eigenvalues -- 10.32371 10.34365 10.36820 10.40847 10.44483 Alpha virt. eigenvalues -- 10.59783 10.62300 10.62661 10.63845 10.66829 Alpha virt. eigenvalues -- 10.67034 10.71667 10.72490 10.73395 10.73841 Alpha virt. eigenvalues -- 10.73981 10.75226 10.77196 10.77423 10.78819 Alpha virt. eigenvalues -- 10.79867 10.91630 10.92978 10.93469 10.94676 Alpha virt. eigenvalues -- 11.24050 11.24102 11.25581 11.25656 11.50138 Alpha virt. eigenvalues -- 11.51562 11.53848 11.55930 11.72905 11.73284 Alpha virt. eigenvalues -- 11.75104 11.76653 12.79598 12.80403 12.96567 Alpha virt. eigenvalues -- 13.51976 13.54139 13.70465 13.71634 13.72541 Alpha virt. eigenvalues -- 13.73431 14.05297 14.06545 14.09035 14.12157 Alpha virt. eigenvalues -- 14.32123 16.41492 25.12278 25.30383 25.37139 Alpha virt. eigenvalues -- 25.54626 25.62017 27.11311 29.03850 29.08392 Alpha virt. eigenvalues -- 29.09353 29.10973 29.14681 29.21348 29.22177 Alpha virt. eigenvalues -- 29.26041 29.29863 29.37839 29.38743 29.44389 Alpha virt. eigenvalues -- 29.48541 29.58526 29.59230 29.61803 29.67169 Alpha virt. eigenvalues -- 30.07925 30.11229 30.13264 30.18780 30.34838 Alpha virt. eigenvalues -- 30.36414 30.37084 30.40188 85.77114 85.94865 Alpha virt. eigenvalues -- 86.00533 86.18764 86.22352 86.26550 141.85195 Alpha virt. eigenvalues -- 141.89609 142.26081 142.29625 142.32363 142.37151 Alpha virt. eigenvalues -- 142.47447 142.48145 142.49455 142.52640 441.53614 Alpha virt. eigenvalues -- 441.80370 441.91719 442.18908 442.32188 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.455723 0.213917 0.011961 -0.034600 0.309884 0.000353 2 C 0.213917 5.574663 0.203685 -0.022275 -0.024412 0.007210 3 C 0.011961 0.203685 5.448743 0.314880 -0.036662 0.000003 4 C -0.034600 -0.022275 0.314880 5.417582 0.180352 -0.002913 5 C 0.309884 -0.024412 -0.036662 0.180352 5.410658 -0.003773 6 C 0.000353 0.007210 0.000003 -0.002913 -0.003773 5.352337 7 C -0.000030 0.000966 -0.003038 -0.000778 -0.001241 0.352114 8 C 0.013088 -0.016395 -0.001081 0.006079 -0.005099 -0.071252 9 C -0.001109 -0.015978 0.012612 -0.005102 0.006220 -0.068953 10 C -0.003680 0.001484 0.001422 -0.000873 -0.000693 0.349480 11 H 0.340892 -0.038967 0.003553 0.009263 -0.027828 0.000476 12 H -0.015545 0.361438 -0.018002 0.004595 0.006208 0.000698 13 H 0.003646 -0.038854 0.341227 -0.026063 0.009751 0.000428 14 H 0.009860 0.005440 -0.017000 0.381803 -0.040016 0.000043 15 H -0.017335 0.005530 0.009468 -0.043738 0.387641 -0.000323 16 H 0.000693 -0.000828 0.000689 -0.000231 -0.000141 0.350577 17 H -0.001108 0.002099 -0.000788 0.000345 0.000317 -0.024090 18 H -0.002349 -0.008154 0.001103 -0.000424 0.000746 0.010608 19 H 0.001089 -0.006210 -0.002237 0.000559 -0.000150 0.011122 20 H -0.000807 0.001941 -0.001246 0.000558 0.000219 -0.024417 21 S -0.046123 0.012503 -0.006733 0.010418 0.009820 -0.038442 22 S 0.002788 -0.002661 0.001693 -0.010555 -0.005640 -0.000032 23 S -0.000552 0.000523 -0.000596 -0.000297 0.000720 0.004975 24 S 0.001665 -0.002816 0.002705 0.001332 -0.007830 -0.000080 25 S -0.006847 0.013588 -0.042553 0.007875 0.004344 -0.037216 26 Mo -0.173729 -0.153479 -0.146196 -0.079649 -0.080518 -0.284036 7 8 9 10 11 12 1 C -0.000030 0.013088 -0.001109 -0.003680 0.340892 -0.015545 2 C 0.000966 -0.016395 -0.015978 0.001484 -0.038967 0.361438 3 C -0.003038 -0.001081 0.012612 0.001422 0.003553 -0.018002 4 C -0.000778 0.006079 -0.005102 -0.000873 0.009263 0.004595 5 C -0.001241 -0.005099 0.006220 -0.000693 -0.027828 0.006208 6 C 0.352114 -0.071252 -0.068953 0.349480 0.000476 0.000698 7 C 5.363956 0.369396 -0.074993 -0.038149 0.000745 -0.000315 8 C 0.369396 5.190456 0.291395 -0.073826 -0.000738 -0.004933 9 C -0.074993 0.291395 5.181766 0.368904 -0.001389 -0.003378 10 C -0.038149 -0.073826 0.368904 5.364772 -0.000177 -0.000019 11 H 0.000745 -0.000738 -0.001389 -0.000177 0.498435 -0.003598 12 H -0.000315 -0.004933 -0.003378 -0.000019 -0.003598 0.578802 13 H -0.000151 -0.001660 -0.001103 0.000134 -0.000056 -0.003619 14 H 0.000202 0.000403 -0.000509 -0.000686 0.000557 -0.000167 15 H -0.000670 -0.000497 0.000407 0.000238 -0.006558 -0.000070 16 H -0.014993 0.007405 0.007671 -0.015509 -0.000048 0.000089 17 H 0.338402 -0.024688 0.000589 0.009240 0.000580 -0.000315 18 H -0.008424 0.349299 -0.022639 0.000774 -0.001379 0.004239 19 H 0.000364 -0.022266 0.349133 -0.010420 -0.000119 0.003278 20 H 0.009252 0.000267 -0.024768 0.337688 0.000012 -0.000276 21 S -0.037620 -0.002076 0.002711 -0.000177 0.003259 -0.000276 22 S 0.002143 0.000090 -0.000033 0.000665 0.001446 0.000013 23 S -0.000003 -0.000099 -0.000113 0.000094 0.000045 -0.000015 24 S 0.000655 -0.000068 0.000047 0.002042 0.000085 0.000015 25 S 0.000108 0.002851 -0.002644 -0.037893 -0.000525 -0.000221 26 Mo -0.111727 0.042565 0.044472 -0.113809 0.050219 -0.049961 13 14 15 16 17 18 1 C 0.003646 0.009860 -0.017335 0.000693 -0.001108 -0.002349 2 C -0.038854 0.005440 0.005530 -0.000828 0.002099 -0.008154 3 C 0.341227 -0.017000 0.009468 0.000689 -0.000788 0.001103 4 C -0.026063 0.381803 -0.043738 -0.000231 0.000345 -0.000424 5 C 0.009751 -0.040016 0.387641 -0.000141 0.000317 0.000746 6 C 0.000428 0.000043 -0.000323 0.350577 -0.024090 0.010608 7 C -0.000151 0.000202 -0.000670 -0.014993 0.338402 -0.008424 8 C -0.001660 0.000403 -0.000497 0.007405 -0.024688 0.349299 9 C -0.001103 -0.000509 0.000407 0.007671 0.000589 -0.022639 10 C 0.000134 -0.000686 0.000238 -0.015509 0.009240 0.000774 11 H -0.000056 0.000557 -0.006558 -0.000048 0.000580 -0.001379 12 H -0.003619 -0.000167 -0.000070 0.000089 -0.000315 0.004239 13 H 0.498414 -0.006221 0.000529 -0.000032 0.000007 -0.000104 14 H -0.006221 0.498906 -0.010516 -0.000037 0.000023 0.000010 15 H 0.000529 -0.010516 0.520701 0.000019 -0.000246 0.000020 16 H -0.000032 -0.000037 0.000019 0.549870 -0.006817 0.000189 17 H 0.000007 0.000023 -0.000246 -0.006817 0.497469 -0.004651 18 H -0.000104 0.000010 0.000020 0.000189 -0.004651 0.552850 19 H -0.001435 0.000009 0.000029 0.000244 -0.000359 -0.004490 20 H 0.000461 -0.000154 0.000003 -0.006904 0.000438 -0.000330 21 S -0.000384 0.002626 -0.032829 0.002335 -0.000404 -0.000632 22 S 0.000070 0.003314 -0.000953 0.000924 0.000293 -0.000011 23 S 0.000020 -0.000767 -0.002629 -0.002873 0.000370 -0.000011 24 S 0.001354 -0.010849 0.003316 0.000925 -0.000144 0.000009 25 S 0.004374 -0.024726 0.002997 0.001777 -0.001743 0.000141 26 Mo 0.047748 -0.013806 -0.013490 0.007321 0.012079 0.004323 19 20 21 22 23 24 1 C 0.001089 -0.000807 -0.046123 0.002788 -0.000552 0.001665 2 C -0.006210 0.001941 0.012503 -0.002661 0.000523 -0.002816 3 C -0.002237 -0.001246 -0.006733 0.001693 -0.000596 0.002705 4 C 0.000559 0.000558 0.010418 -0.010555 -0.000297 0.001332 5 C -0.000150 0.000219 0.009820 -0.005640 0.000720 -0.007830 6 C 0.011122 -0.024417 -0.038442 -0.000032 0.004975 -0.000080 7 C 0.000364 0.009252 -0.037620 0.002143 -0.000003 0.000655 8 C -0.022266 0.000267 -0.002076 0.000090 -0.000099 -0.000068 9 C 0.349133 -0.024768 0.002711 -0.000033 -0.000113 0.000047 10 C -0.010420 0.337688 -0.000177 0.000665 0.000094 0.002042 11 H -0.000119 0.000012 0.003259 0.001446 0.000045 0.000085 12 H 0.003278 -0.000276 -0.000276 0.000013 -0.000015 0.000015 13 H -0.001435 0.000461 -0.000384 0.000070 0.000020 0.001354 14 H 0.000009 -0.000154 0.002626 0.003314 -0.000767 -0.010849 15 H 0.000029 0.000003 -0.032829 -0.000953 -0.002629 0.003316 16 H 0.000244 -0.006904 0.002335 0.000924 -0.002873 0.000925 17 H -0.000359 0.000438 -0.000404 0.000293 0.000370 -0.000144 18 H -0.004490 -0.000330 -0.000632 -0.000011 -0.000011 0.000009 19 H 0.559396 -0.004458 0.000137 0.000011 -0.000012 -0.000008 20 H -0.004458 0.498758 -0.001721 -0.000139 0.000379 0.000197 21 S 0.000137 -0.001721 16.012392 0.043779 -0.062651 -0.008090 22 S 0.000011 -0.000139 0.043779 15.957801 0.083595 -0.056181 23 S -0.000012 0.000379 -0.062651 0.083595 15.957680 0.086601 24 S -0.000008 0.000197 -0.008090 -0.056181 0.086601 15.956555 25 S -0.000891 0.002239 -0.014025 -0.005789 -0.061481 0.038375 26 Mo 0.004644 0.013537 0.264412 0.016603 0.018823 0.022645 25 26 1 C -0.006847 -0.173729 2 C 0.013588 -0.153479 3 C -0.042553 -0.146196 4 C 0.007875 -0.079649 5 C 0.004344 -0.080518 6 C -0.037216 -0.284036 7 C 0.000108 -0.111727 8 C 0.002851 0.042565 9 C -0.002644 0.044472 10 C -0.037893 -0.113809 11 H -0.000525 0.050219 12 H -0.000221 -0.049961 13 H 0.004374 0.047748 14 H -0.024726 -0.013806 15 H 0.002997 -0.013490 16 H 0.001777 0.007321 17 H -0.001743 0.012079 18 H 0.000141 0.004323 19 H -0.000891 0.004644 20 H 0.002239 0.013537 21 S -0.014025 0.264412 22 S -0.005789 0.016603 23 S -0.061481 0.018823 24 S 0.038375 0.022645 25 S 16.015353 0.252707 26 Mo 0.252707 15.108510 Mulliken charges: 1 1 C -0.061745 2 C -0.073959 3 C -0.077611 4 C -0.108142 5 C -0.092877 6 C 0.115104 7 C -0.146171 8 C -0.048617 9 C -0.043215 10 C -0.141027 11 H 0.171814 12 H 0.141338 13 H 0.171520 14 H 0.222257 15 H 0.198955 16 H 0.117685 17 H 0.203103 18 H 0.129287 19 H 0.123041 20 H 0.199272 21 S -0.112208 22 S -0.033234 23 S -0.021727 24 S -0.032458 25 S -0.110175 26 Mo -0.690208 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.110069 2 C 0.067379 3 C 0.093909 4 C 0.114115 5 C 0.106077 6 C 0.232788 7 C 0.056931 8 C 0.080670 9 C 0.079826 10 C 0.058245 21 S -0.112208 22 S -0.033234 23 S -0.021727 24 S -0.032458 25 S -0.110175 26 Mo -0.690208 Electronic spatial extent (au): = 4659.9273 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -8.3372 Y= -0.3291 Z= 1.3737 Tot= 8.4560 Quadrupole moment (field-independent basis, Debye-Ang): XX= -142.3850 YY= -151.4767 ZZ= -145.7482 XY= -0.2176 XZ= 0.7815 YZ= -1.4643 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 4.1516 YY= -4.9400 ZZ= 0.7884 XY= -0.2176 XZ= 0.7815 YZ= -1.4643 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -101.0206 YYY= -3.6340 ZZZ= -2.1394 XYY= -38.3031 XXY= -1.6248 XXZ= 7.6552 XZZ= -9.6804 YZZ= 2.6378 YYZ= 5.2852 XYZ= -6.3771 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3698.7464 YYYY= -1502.7961 ZZZZ= -1493.0222 XXXY= 9.3871 XXXZ= -42.5152 YYYX= -4.7170 YYYZ= -17.6184 ZZZX= 5.2493 ZZZY= 22.2680 XXYY= -855.3555 XXZZ= -898.6834 YYZZ= -475.6135 XXYZ= 11.3994 YYXZ= 5.8542 ZZXY= 1.8976 N-N= 2.021159944158D+03 E-N=-9.812245152714D+03 KE= 2.399533461841D+03 Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EIn" output file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EOu" message file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 401 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 401 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 401 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 654 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 654 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 654 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1203 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 26 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 72 to matrix element file. Write BOND TYPES from file 0 offset 0 length 72 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 104 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 26 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 26 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 26 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 26 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 26 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 26 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 26 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 78 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 78 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 846951 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 846951 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 846951 length 846951 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 846951 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1692601 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2540853 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1301 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1692601 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 846951 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 846951 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 846951 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 846951 to matrix element file. Write INTEGER PARAMETERS from file 0 offset 0 length 2 to matrix element file. No 2e integrals to process. Perform NBO analysis...executing G16NBO... *********************************** NBO 7.0 *********************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S *********************** Santiago Lacalle Puig (S102540) *********************** (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System on behalf of the Theoretical Chemistry Institute. All rights reserved. Cite this program [NBO 7.0.10 (8-Feb-2021)] as: NBO 7.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, P. Karafiloglou, C. R. Landis, and F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI (2018) /MCB / : Search for 3-center NBOs /AONBO / : Checkpoint the AO to NBO transformation NBOs sorted by occupancy /BNDIDX / : Print bond indices based on the NAO density matrix Filename set to /rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau- Job title: CYPTIS10 NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 1.99997 -10.22783 2 C 1 s Val( 2s) 1.00006 -0.19303 3 C 1 s Ryd( 3s) 0.00158 5.08647 4 C 1 s Ryd( 4s) 0.00009 5.62453 5 C 1 s Ryd( 5s) 0.00001 10.16030 6 C 1 s Ryd( 6s) 0.00000 13.39124 7 C 1 s Ryd( 7s) 0.00000 130.17215 8 C 1 px Val( 2p) 1.01598 -0.05700 9 C 1 px Ryd( 3p) 0.00483 1.56521 10 C 1 px Ryd( 4p) 0.00016 1.27669 11 C 1 px Ryd( 5p) 0.00005 4.77751 12 C 1 py Val( 2p) 1.18378 -0.06350 13 C 1 py Ryd( 3p) 0.00459 1.60827 14 C 1 py Ryd( 4p) 0.00028 2.40797 15 C 1 py Ryd( 5p) 0.00004 4.77978 16 C 1 pz Val( 2p) 1.03591 -0.13538 17 C 1 pz Ryd( 3p) 0.00234 0.99346 18 C 1 pz Ryd( 4p) 0.00045 1.39718 19 C 1 pz Ryd( 5p) 0.00002 4.26744 20 C 1 dxy Ryd( 3d) 0.00114 4.82415 21 C 1 dxy Ryd( 4d) 0.00045 5.08426 22 C 1 dxy Ryd( 5d) 0.00001 7.45027 23 C 1 dxz Ryd( 3d) 0.00078 1.90291 24 C 1 dxz Ryd( 4d) 0.00043 2.88480 25 C 1 dxz Ryd( 5d) 0.00001 6.83715 26 C 1 dyz Ryd( 3d) 0.00252 2.01097 27 C 1 dyz Ryd( 4d) 0.00016 3.39003 28 C 1 dyz Ryd( 5d) 0.00001 7.17111 29 C 1 dx2y2 Ryd( 3d) 0.00083 3.42224 30 C 1 dx2y2 Ryd( 4d) 0.00063 5.01164 31 C 1 dx2y2 Ryd( 5d) 0.00001 7.88917 32 C 1 dz2 Ryd( 3d) 0.00234 2.93569 33 C 1 dz2 Ryd( 4d) 0.00030 3.44709 34 C 1 dz2 Ryd( 5d) 0.00001 7.92666 35 C 1 f(0) Ryd( 4f) 0.00041 2.90863 36 C 1 f(0) Ryd( 5f) 0.00001 7.47898 37 C 1 f(c1) Ryd( 4f) 0.00018 3.01810 38 C 1 f(c1) Ryd( 5f) 0.00001 7.35870 39 C 1 f(s1) Ryd( 4f) 0.00082 3.13067 40 C 1 f(s1) Ryd( 5f) 0.00001 7.42739 41 C 1 f(c2) Ryd( 4f) 0.00027 3.16548 42 C 1 f(c2) Ryd( 5f) 0.00001 7.42632 43 C 1 f(s2) Ryd( 4f) 0.00038 3.16405 44 C 1 f(s2) Ryd( 5f) 0.00001 7.47424 45 C 1 f(c3) Ryd( 4f) 0.00057 4.27796 46 C 1 f(c3) Ryd( 5f) 0.00003 8.01184 47 C 1 f(s3) Ryd( 4f) 0.00063 4.31592 48 C 1 f(s3) Ryd( 5f) 0.00002 8.00549 49 C 1 g(0) Ryd( 5g) 0.00003 5.94933 50 C 1 g(c1) Ryd( 5g) 0.00001 5.93307 51 C 1 g(s1) Ryd( 5g) 0.00001 5.95111 52 C 1 g(c2) Ryd( 5g) 0.00001 5.98759 53 C 1 g(s2) Ryd( 5g) 0.00003 5.98894 54 C 1 g(c3) Ryd( 5g) 0.00008 6.24296 55 C 1 g(s3) Ryd( 5g) 0.00009 6.15026 56 C 1 g(c4) Ryd( 5g) 0.00017 6.37759 57 C 1 g(s4) Ryd( 5g) 0.00018 6.52248 58 C 2 s Cor( 1s) 1.99997 -10.23794 59 C 2 s Val( 2s) 0.99963 -0.20151 60 C 2 s Ryd( 3s) 0.00195 4.92295 61 C 2 s Ryd( 4s) 0.00008 5.15192 62 C 2 s Ryd( 5s) 0.00001 9.74537 63 C 2 s Ryd( 6s) 0.00000 13.28233 64 C 2 s Ryd( 7s) 0.00000 130.63469 65 C 2 px Val( 2p) 1.17190 -0.07054 66 C 2 px Ryd( 3p) 0.00420 1.60236 67 C 2 px Ryd( 4p) 0.00024 2.32430 68 C 2 px Ryd( 5p) 0.00004 5.01014 69 C 2 py Val( 2p) 1.00905 -0.06060 70 C 2 py Ryd( 3p) 0.00407 1.63576 71 C 2 py Ryd( 4p) 0.00016 1.14249 72 C 2 py Ryd( 5p) 0.00007 4.87130 73 C 2 pz Val( 2p) 1.00880 -0.14259 74 C 2 pz Ryd( 3p) 0.00138 0.97927 75 C 2 pz Ryd( 4p) 0.00024 1.24010 76 C 2 pz Ryd( 5p) 0.00003 4.38251 77 C 2 dxy Ryd( 3d) 0.00187 5.36282 78 C 2 dxy Ryd( 4d) 0.00021 4.88034 79 C 2 dxy Ryd( 5d) 0.00001 7.14582 80 C 2 dxz Ryd( 3d) 0.00381 1.93969 81 C 2 dxz Ryd( 4d) 0.00011 3.50308 82 C 2 dxz Ryd( 5d) 0.00001 7.19236 83 C 2 dyz Ryd( 3d) 0.00051 1.85288 84 C 2 dyz Ryd( 4d) 0.00055 2.93313 85 C 2 dyz Ryd( 5d) 0.00000 6.85219 86 C 2 dx2y2 Ryd( 3d) 0.00074 2.79758 87 C 2 dx2y2 Ryd( 4d) 0.00085 5.00192 88 C 2 dx2y2 Ryd( 5d) 0.00001 8.15936 89 C 2 dz2 Ryd( 3d) 0.00202 2.83538 90 C 2 dz2 Ryd( 4d) 0.00032 3.45288 91 C 2 dz2 Ryd( 5d) 0.00001 7.91012 92 C 2 f(0) Ryd( 4f) 0.00063 2.95985 93 C 2 f(0) Ryd( 5f) 0.00001 7.43325 94 C 2 f(c1) Ryd( 4f) 0.00052 3.09795 95 C 2 f(c1) Ryd( 5f) 0.00001 7.44296 96 C 2 f(s1) Ryd( 4f) 0.00032 2.99204 97 C 2 f(s1) Ryd( 5f) 0.00001 7.33220 98 C 2 f(c2) Ryd( 4f) 0.00039 3.15416 99 C 2 f(c2) Ryd( 5f) 0.00001 7.47727 100 C 2 f(s2) Ryd( 4f) 0.00016 3.12844 101 C 2 f(s2) Ryd( 5f) 0.00001 7.39977 102 C 2 f(c3) Ryd( 4f) 0.00074 4.60178 103 C 2 f(c3) Ryd( 5f) 0.00002 7.87729 104 C 2 f(s3) Ryd( 4f) 0.00039 4.04367 105 C 2 f(s3) Ryd( 5f) 0.00003 8.16768 106 C 2 g(0) Ryd( 5g) 0.00001 5.93106 107 C 2 g(c1) Ryd( 5g) 0.00002 5.93054 108 C 2 g(s1) Ryd( 5g) 0.00001 5.91302 109 C 2 g(c2) Ryd( 5g) 0.00003 5.94708 110 C 2 g(s2) Ryd( 5g) 0.00002 6.02462 111 C 2 g(c3) Ryd( 5g) 0.00012 6.02245 112 C 2 g(s3) Ryd( 5g) 0.00003 6.34791 113 C 2 g(c4) Ryd( 5g) 0.00019 6.56114 114 C 2 g(s4) Ryd( 5g) 0.00015 6.32786 115 C 3 s Cor( 1s) 1.99997 -10.22906 116 C 3 s Val( 2s) 1.00024 -0.19370 117 C 3 s Ryd( 3s) 0.00157 5.04058 118 C 3 s Ryd( 4s) 0.00009 5.69332 119 C 3 s Ryd( 5s) 0.00001 10.16733 120 C 3 s Ryd( 6s) 0.00000 13.46566 121 C 3 s Ryd( 7s) 0.00000 129.96220 122 C 3 px Val( 2p) 1.02952 -0.05938 123 C 3 px Ryd( 3p) 0.00476 1.54778 124 C 3 px Ryd( 4p) 0.00015 1.33643 125 C 3 px Ryd( 5p) 0.00005 4.80911 126 C 3 py Val( 2p) 1.15755 -0.06709 127 C 3 py Ryd( 3p) 0.00494 1.56608 128 C 3 py Ryd( 4p) 0.00036 2.45762 129 C 3 py Ryd( 5p) 0.00005 4.86061 130 C 3 pz Val( 2p) 1.04844 -0.13343 131 C 3 pz Ryd( 3p) 0.00205 1.01749 132 C 3 pz Ryd( 4p) 0.00034 1.24658 133 C 3 pz Ryd( 5p) 0.00002 4.12830 134 C 3 dxy Ryd( 3d) 0.00133 4.23712 135 C 3 dxy Ryd( 4d) 0.00047 4.98613 136 C 3 dxy Ryd( 5d) 0.00001 7.51273 137 C 3 dxz Ryd( 3d) 0.00057 2.08454 138 C 3 dxz Ryd( 4d) 0.00046 2.97904 139 C 3 dxz Ryd( 5d) 0.00001 6.95606 140 C 3 dyz Ryd( 3d) 0.00272 2.01387 141 C 3 dyz Ryd( 4d) 0.00023 3.49979 142 C 3 dyz Ryd( 5d) 0.00001 7.38456 143 C 3 dx2y2 Ryd( 3d) 0.00117 4.06865 144 C 3 dx2y2 Ryd( 4d) 0.00052 4.95465 145 C 3 dx2y2 Ryd( 5d) 0.00001 7.63732 146 C 3 dz2 Ryd( 3d) 0.00168 2.70580 147 C 3 dz2 Ryd( 4d) 0.00028 3.31536 148 C 3 dz2 Ryd( 5d) 0.00001 7.75173 149 C 3 f(0) Ryd( 4f) 0.00079 2.95085 150 C 3 f(0) Ryd( 5f) 0.00001 7.35213 151 C 3 f(c1) Ryd( 4f) 0.00041 2.98393 152 C 3 f(c1) Ryd( 5f) 0.00001 7.40356 153 C 3 f(s1) Ryd( 4f) 0.00047 3.12514 154 C 3 f(s1) Ryd( 5f) 0.00001 7.56739 155 C 3 f(c2) Ryd( 4f) 0.00031 3.18200 156 C 3 f(c2) Ryd( 5f) 0.00001 7.47059 157 C 3 f(s2) Ryd( 4f) 0.00024 3.12009 158 C 3 f(s2) Ryd( 5f) 0.00001 7.45009 159 C 3 f(c3) Ryd( 4f) 0.00063 4.47805 160 C 3 f(c3) Ryd( 5f) 0.00002 7.93152 161 C 3 f(s3) Ryd( 4f) 0.00043 4.12915 162 C 3 f(s3) Ryd( 5f) 0.00002 8.07105 163 C 3 g(0) Ryd( 5g) 0.00001 5.89500 164 C 3 g(c1) Ryd( 5g) 0.00001 5.93816 165 C 3 g(s1) Ryd( 5g) 0.00002 5.94228 166 C 3 g(c2) Ryd( 5g) 0.00005 5.96170 167 C 3 g(s2) Ryd( 5g) 0.00003 6.08112 168 C 3 g(c3) Ryd( 5g) 0.00011 6.07401 169 C 3 g(s3) Ryd( 5g) 0.00005 6.29031 170 C 3 g(c4) Ryd( 5g) 0.00015 6.34108 171 C 3 g(s4) Ryd( 5g) 0.00019 6.57623 172 C 4 s Cor( 1s) 1.99997 -10.23041 173 C 4 s Val( 2s) 1.00900 -0.18971 174 C 4 s Ryd( 4s) 0.00166 4.65114 175 C 4 s Ryd( 3s) 0.00010 4.07823 176 C 4 s Ryd( 5s) 0.00001 11.69645 177 C 4 s Ryd( 6s) 0.00000 14.72051 178 C 4 s Ryd( 7s) 0.00000 128.85457 179 C 4 px Val( 2p) 1.12466 -0.05133 180 C 4 px Ryd( 4p) 0.00523 1.51856 181 C 4 px Ryd( 3p) 0.00087 1.48903 182 C 4 px Ryd( 5p) 0.00005 5.17067 183 C 4 py Val( 2p) 1.07695 -0.05403 184 C 4 py Ryd( 4p) 0.00512 1.47509 185 C 4 py Ryd( 3p) 0.00043 1.38490 186 C 4 py Ryd( 5p) 0.00005 5.19619 187 C 4 pz Val( 2p) 0.93616 -0.12724 188 C 4 pz Ryd( 4p) 0.00200 0.96444 189 C 4 pz Ryd( 3p) 0.00038 1.05629 190 C 4 pz Ryd( 5p) 0.00002 4.32022 191 C 4 dxy Ryd( 3d) 0.00054 2.94887 192 C 4 dxy Ryd( 4d) 0.00082 4.87968 193 C 4 dxy Ryd( 5d) 0.00001 8.19151 194 C 4 dxz Ryd( 3d) 0.00188 2.00146 195 C 4 dxz Ryd( 4d) 0.00027 3.11510 196 C 4 dxz Ryd( 5d) 0.00001 6.99401 197 C 4 dyz Ryd( 3d) 0.00194 2.04366 198 C 4 dyz Ryd( 4d) 0.00048 2.94199 199 C 4 dyz Ryd( 5d) 0.00001 6.99503 200 C 4 dx2y2 Ryd( 3d) 0.00156 5.34224 201 C 4 dx2y2 Ryd( 4d) 0.00027 4.89659 202 C 4 dx2y2 Ryd( 5d) 0.00001 7.23947 203 C 4 dz2 Ryd( 3d) 0.00147 2.86792 204 C 4 dz2 Ryd( 4d) 0.00037 3.28371 205 C 4 dz2 Ryd( 5d) 0.00002 8.13742 206 C 4 f(0) Ryd( 4f) 0.00056 2.89249 207 C 4 f(0) Ryd( 5f) 0.00001 7.60522 208 C 4 f(c1) Ryd( 4f) 0.00058 3.05112 209 C 4 f(c1) Ryd( 5f) 0.00001 7.39604 210 C 4 f(s1) Ryd( 4f) 0.00031 3.03596 211 C 4 f(s1) Ryd( 5f) 0.00001 7.39879 212 C 4 f(c2) Ryd( 4f) 0.00024 3.19914 213 C 4 f(c2) Ryd( 5f) 0.00001 7.55097 214 C 4 f(s2) Ryd( 4f) 0.00036 3.17945 215 C 4 f(s2) Ryd( 5f) 0.00001 7.58697 216 C 4 f(c3) Ryd( 4f) 0.00044 4.13064 217 C 4 f(c3) Ryd( 5f) 0.00003 8.24831 218 C 4 f(s3) Ryd( 4f) 0.00072 4.49669 219 C 4 f(s3) Ryd( 5f) 0.00002 8.12173 220 C 4 g(0) Ryd( 5g) 0.00001 5.89684 221 C 4 g(c1) Ryd( 5g) 0.00001 5.94252 222 C 4 g(s1) Ryd( 5g) 0.00002 5.95454 223 C 4 g(c2) Ryd( 5g) 0.00003 6.01165 224 C 4 g(s2) Ryd( 5g) 0.00001 5.99228 225 C 4 g(c3) Ryd( 5g) 0.00005 6.31754 226 C 4 g(s3) Ryd( 5g) 0.00012 6.08623 227 C 4 g(c4) Ryd( 5g) 0.00021 6.55695 228 C 4 g(s4) Ryd( 5g) 0.00017 6.34863 229 C 5 s Cor( 1s) 1.99997 -10.22915 230 C 5 s Val( 2s) 1.01000 -0.19057 231 C 5 s Ryd( 4s) 0.00177 4.60606 232 C 5 s Ryd( 3s) 0.00010 4.00387 233 C 5 s Ryd( 5s) 0.00001 11.74353 234 C 5 s Ryd( 6s) 0.00000 14.54715 235 C 5 s Ryd( 7s) 0.00000 129.10932 236 C 5 px Val( 2p) 1.14314 -0.05278 237 C 5 px Ryd( 4p) 0.00524 1.54135 238 C 5 px Ryd( 3p) 0.00094 1.58672 239 C 5 px Ryd( 5p) 0.00004 5.14878 240 C 5 py Val( 2p) 1.05850 -0.04855 241 C 5 py Ryd( 4p) 0.00514 1.47358 242 C 5 py Ryd( 3p) 0.00038 1.13509 243 C 5 py Ryd( 5p) 0.00006 5.14150 244 C 5 pz Val( 2p) 0.94608 -0.13176 245 C 5 pz Ryd( 4p) 0.00206 0.98889 246 C 5 pz Ryd( 3p) 0.00049 1.25185 247 C 5 pz Ryd( 5p) 0.00002 4.38142 248 C 5 dxy Ryd( 3d) 0.00066 3.36052 249 C 5 dxy Ryd( 4d) 0.00070 4.85995 250 C 5 dxy Ryd( 5d) 0.00001 7.85147 251 C 5 dxz Ryd( 3d) 0.00211 1.79371 252 C 5 dxz Ryd( 4d) 0.00032 3.22430 253 C 5 dxz Ryd( 5d) 0.00001 7.31233 254 C 5 dyz Ryd( 3d) 0.00126 2.04134 255 C 5 dyz Ryd( 4d) 0.00038 3.09890 256 C 5 dyz Ryd( 5d) 0.00001 7.04727 257 C 5 dx2y2 Ryd( 3d) 0.00098 4.89864 258 C 5 dx2y2 Ryd( 4d) 0.00047 4.79890 259 C 5 dx2y2 Ryd( 5d) 0.00001 7.37756 260 C 5 dz2 Ryd( 3d) 0.00257 3.05512 261 C 5 dz2 Ryd( 4d) 0.00038 3.22097 262 C 5 dz2 Ryd( 5d) 0.00002 8.03826 263 C 5 f(0) Ryd( 4f) 0.00040 2.89948 264 C 5 f(0) Ryd( 5f) 0.00001 7.46644 265 C 5 f(c1) Ryd( 4f) 0.00073 3.11693 266 C 5 f(c1) Ryd( 5f) 0.00001 7.55864 267 C 5 f(s1) Ryd( 4f) 0.00039 3.03900 268 C 5 f(s1) Ryd( 5f) 0.00001 7.50788 269 C 5 f(c2) Ryd( 4f) 0.00023 3.11642 270 C 5 f(c2) Ryd( 5f) 0.00001 7.56786 271 C 5 f(s2) Ryd( 4f) 0.00027 3.15077 272 C 5 f(s2) Ryd( 5f) 0.00000 7.47672 273 C 5 f(c3) Ryd( 4f) 0.00037 4.03959 274 C 5 f(c3) Ryd( 5f) 0.00003 8.20303 275 C 5 f(s3) Ryd( 4f) 0.00082 4.65599 276 C 5 f(s3) Ryd( 5f) 0.00002 8.10050 277 C 5 g(0) Ryd( 5g) 0.00002 5.97289 278 C 5 g(c1) Ryd( 5g) 0.00001 5.88704 279 C 5 g(s1) Ryd( 5g) 0.00001 5.94935 280 C 5 g(c2) Ryd( 5g) 0.00001 6.01074 281 C 5 g(s2) Ryd( 5g) 0.00002 5.98835 282 C 5 g(c3) Ryd( 5g) 0.00001 6.35518 283 C 5 g(s3) Ryd( 5g) 0.00016 6.05623 284 C 5 g(c4) Ryd( 5g) 0.00019 6.41063 285 C 5 g(s4) Ryd( 5g) 0.00020 6.49491 286 C 6 s Cor( 1s) 1.99997 -10.22195 287 C 6 s Val( 2s) 1.01015 -0.19425 288 C 6 s Ryd( 4s) 0.00170 4.79097 289 C 6 s Ryd( 3s) 0.00014 4.12989 290 C 6 s Ryd( 5s) 0.00001 12.10636 291 C 6 s Ryd( 6s) 0.00000 12.71957 292 C 6 s Ryd( 7s) 0.00000 130.86633 293 C 6 px Val( 2p) 1.16404 -0.07750 294 C 6 px Ryd( 3p) 0.00374 1.44805 295 C 6 px Ryd( 4p) 0.00032 1.84654 296 C 6 px Ryd( 5p) 0.00004 4.68193 297 C 6 py Val( 2p) 0.99199 -0.04941 298 C 6 py Ryd( 3p) 0.00498 1.56301 299 C 6 py Ryd( 4p) 0.00020 1.14587 300 C 6 py Ryd( 5p) 0.00006 4.81377 301 C 6 pz Val( 2p) 1.05198 -0.11537 302 C 6 pz Ryd( 3p) 0.00354 1.15991 303 C 6 pz Ryd( 4p) 0.00052 1.89405 304 C 6 pz Ryd( 5p) 0.00001 4.63180 305 C 6 dxy Ryd( 3d) 0.00069 4.13958 306 C 6 dxy Ryd( 4d) 0.00060 4.29820 307 C 6 dxy Ryd( 5d) 0.00001 7.21515 308 C 6 dxz Ryd( 3d) 0.00180 2.71331 309 C 6 dxz Ryd( 4d) 0.00039 4.18181 310 C 6 dxz Ryd( 5d) 0.00001 8.73235 311 C 6 dyz Ryd( 3d) 0.00145 2.80335 312 C 6 dyz Ryd( 4d) 0.00040 3.49566 313 C 6 dyz Ryd( 5d) 0.00001 6.93805 314 C 6 dx2y2 Ryd( 3d) 0.00099 2.54813 315 C 6 dx2y2 Ryd( 4d) 0.00063 4.45928 316 C 6 dx2y2 Ryd( 5d) 0.00001 7.58568 317 C 6 dz2 Ryd( 3d) 0.00412 2.19738 318 C 6 dz2 Ryd( 4d) 0.00028 3.31537 319 C 6 dz2 Ryd( 5d) 0.00001 7.21435 320 C 6 f(0) Ryd( 4f) 0.00042 3.12130 321 C 6 f(0) Ryd( 5f) 0.00001 7.42436 322 C 6 f(c1) Ryd( 4f) 0.00062 3.05629 323 C 6 f(c1) Ryd( 5f) 0.00001 7.84179 324 C 6 f(s1) Ryd( 4f) 0.00009 3.13218 325 C 6 f(s1) Ryd( 5f) 0.00001 7.37935 326 C 6 f(c2) Ryd( 4f) 0.00059 3.59026 327 C 6 f(c2) Ryd( 5f) 0.00001 7.39853 328 C 6 f(s2) Ryd( 4f) 0.00038 3.47040 329 C 6 f(s2) Ryd( 5f) 0.00001 7.86443 330 C 6 f(c3) Ryd( 4f) 0.00060 4.04937 331 C 6 f(c3) Ryd( 5f) 0.00002 7.71802 332 C 6 f(s3) Ryd( 4f) 0.00033 3.75212 333 C 6 f(s3) Ryd( 5f) 0.00003 7.76723 334 C 6 g(0) Ryd( 5g) 0.00001 5.96069 335 C 6 g(c1) Ryd( 5g) 0.00005 6.01461 336 C 6 g(s1) Ryd( 5g) 0.00002 6.06571 337 C 6 g(c2) Ryd( 5g) 0.00007 6.05076 338 C 6 g(s2) Ryd( 5g) 0.00005 6.14257 339 C 6 g(c3) Ryd( 5g) 0.00011 6.11674 340 C 6 g(s3) Ryd( 5g) 0.00005 6.19645 341 C 6 g(c4) Ryd( 5g) 0.00015 6.32029 342 C 6 g(s4) Ryd( 5g) 0.00011 6.30409 343 C 7 s Cor( 1s) 1.99997 -10.23337 344 C 7 s Val( 2s) 1.00244 -0.19261 345 C 7 s Ryd( 3s) 0.00148 4.87305 346 C 7 s Ryd( 4s) 0.00008 5.10556 347 C 7 s Ryd( 5s) 0.00001 11.32206 348 C 7 s Ryd( 6s) 0.00000 14.15928 349 C 7 s Ryd( 7s) 0.00000 128.80016 350 C 7 px Val( 2p) 1.00465 -0.07684 351 C 7 px Ryd( 3p) 0.00381 1.40660 352 C 7 px Ryd( 4p) 0.00021 1.14434 353 C 7 px Ryd( 5p) 0.00005 4.77660 354 C 7 py Val( 2p) 1.18405 -0.06599 355 C 7 py Ryd( 3p) 0.00473 1.52186 356 C 7 py Ryd( 4p) 0.00032 2.11392 357 C 7 py Ryd( 5p) 0.00004 5.19499 358 C 7 pz Val( 2p) 0.99976 -0.11182 359 C 7 pz Ryd( 3p) 0.00278 1.10710 360 C 7 pz Ryd( 4p) 0.00029 1.17256 361 C 7 pz Ryd( 5p) 0.00003 4.55613 362 C 7 dxy Ryd( 3d) 0.00189 4.06838 363 C 7 dxy Ryd( 4d) 0.00026 4.64725 364 C 7 dxy Ryd( 5d) 0.00001 7.48021 365 C 7 dxz Ryd( 3d) 0.00108 3.01047 366 C 7 dxz Ryd( 4d) 0.00046 3.22664 367 C 7 dxz Ryd( 5d) 0.00001 7.24501 368 C 7 dyz Ryd( 3d) 0.00265 3.06772 369 C 7 dyz Ryd( 4d) 0.00016 3.74823 370 C 7 dyz Ryd( 5d) 0.00001 7.08253 371 C 7 dx2y2 Ryd( 3d) 0.00086 2.96797 372 C 7 dx2y2 Ryd( 4d) 0.00062 4.54866 373 C 7 dx2y2 Ryd( 5d) 0.00001 8.05546 374 C 7 dz2 Ryd( 3d) 0.00102 2.09335 375 C 7 dz2 Ryd( 4d) 0.00045 3.23068 376 C 7 dz2 Ryd( 5d) 0.00001 7.54640 377 C 7 f(0) Ryd( 4f) 0.00033 3.12244 378 C 7 f(0) Ryd( 5f) 0.00001 7.60974 379 C 7 f(c1) Ryd( 4f) 0.00036 2.80552 380 C 7 f(c1) Ryd( 5f) 0.00001 7.28446 381 C 7 f(s1) Ryd( 4f) 0.00038 3.16040 382 C 7 f(s1) Ryd( 5f) 0.00001 7.37144 383 C 7 f(c2) Ryd( 4f) 0.00062 3.47083 384 C 7 f(c2) Ryd( 5f) 0.00002 7.72216 385 C 7 f(s2) Ryd( 4f) 0.00041 3.62624 386 C 7 f(s2) Ryd( 5f) 0.00002 7.75313 387 C 7 f(c3) Ryd( 4f) 0.00054 3.77136 388 C 7 f(c3) Ryd( 5f) 0.00002 7.88352 389 C 7 f(s3) Ryd( 4f) 0.00047 3.87178 390 C 7 f(s3) Ryd( 5f) 0.00002 7.87560 391 C 7 g(0) Ryd( 5g) 0.00001 5.91949 392 C 7 g(c1) Ryd( 5g) 0.00002 5.97841 393 C 7 g(s1) Ryd( 5g) 0.00006 6.02997 394 C 7 g(c2) Ryd( 5g) 0.00004 6.14251 395 C 7 g(s2) Ryd( 5g) 0.00006 6.03660 396 C 7 g(c3) Ryd( 5g) 0.00008 6.15074 397 C 7 g(s3) Ryd( 5g) 0.00009 6.16418 398 C 7 g(c4) Ryd( 5g) 0.00014 6.23271 399 C 7 g(s4) Ryd( 5g) 0.00011 6.34869 400 C 8 s Cor( 1s) 1.99997 -10.24445 401 C 8 s Val( 2s) 1.00294 -0.20205 402 C 8 s Ryd( 3s) 0.00174 4.80216 403 C 8 s Ryd( 4s) 0.00007 5.18494 404 C 8 s Ryd( 5s) 0.00001 10.73623 405 C 8 s Ryd( 6s) 0.00000 13.45478 406 C 8 s Ryd( 7s) 0.00000 129.22971 407 C 8 px Val( 2p) 1.06494 -0.09972 408 C 8 px Ryd( 3p) 0.00389 1.31477 409 C 8 px Ryd( 4p) 0.00029 1.71099 410 C 8 px Ryd( 5p) 0.00004 4.97054 411 C 8 py Val( 2p) 1.04540 -0.06746 412 C 8 py Ryd( 3p) 0.00472 1.48497 413 C 8 py Ryd( 4p) 0.00015 1.29714 414 C 8 py Ryd( 5p) 0.00005 5.00928 415 C 8 pz Val( 2p) 1.07083 -0.12046 416 C 8 pz Ryd( 3p) 0.00268 1.17191 417 C 8 pz Ryd( 4p) 0.00019 1.28358 418 C 8 pz Ryd( 5p) 0.00003 4.48282 419 C 8 dxy Ryd( 3d) 0.00145 2.93844 420 C 8 dxy Ryd( 4d) 0.00062 4.02741 421 C 8 dxy Ryd( 5d) 0.00001 7.34080 422 C 8 dxz Ryd( 3d) 0.00197 3.22208 423 C 8 dxz Ryd( 4d) 0.00035 4.06454 424 C 8 dxz Ryd( 5d) 0.00002 8.40609 425 C 8 dyz Ryd( 3d) 0.00067 2.57247 426 C 8 dyz Ryd( 4d) 0.00050 3.66511 427 C 8 dyz Ryd( 5d) 0.00001 7.40550 428 C 8 dx2y2 Ryd( 3d) 0.00174 4.13895 429 C 8 dx2y2 Ryd( 4d) 0.00029 4.22722 430 C 8 dx2y2 Ryd( 5d) 0.00001 7.03784 431 C 8 dz2 Ryd( 3d) 0.00182 2.06825 432 C 8 dz2 Ryd( 4d) 0.00028 3.19669 433 C 8 dz2 Ryd( 5d) 0.00001 7.04266 434 C 8 f(0) Ryd( 4f) 0.00049 3.22225 435 C 8 f(0) Ryd( 5f) 0.00001 7.41107 436 C 8 f(c1) Ryd( 4f) 0.00078 2.98987 437 C 8 f(c1) Ryd( 5f) 0.00001 7.63451 438 C 8 f(s1) Ryd( 4f) 0.00042 3.16680 439 C 8 f(s1) Ryd( 5f) 0.00001 7.51587 440 C 8 f(c2) Ryd( 4f) 0.00031 3.40033 441 C 8 f(c2) Ryd( 5f) 0.00002 7.85377 442 C 8 f(s2) Ryd( 4f) 0.00056 3.62687 443 C 8 f(s2) Ryd( 5f) 0.00001 7.51265 444 C 8 f(c3) Ryd( 4f) 0.00023 3.57577 445 C 8 f(c3) Ryd( 5f) 0.00002 7.73726 446 C 8 f(s3) Ryd( 4f) 0.00040 3.93931 447 C 8 f(s3) Ryd( 5f) 0.00001 7.76966 448 C 8 g(0) Ryd( 5g) 0.00002 5.95301 449 C 8 g(c1) Ryd( 5g) 0.00002 6.00021 450 C 8 g(s1) Ryd( 5g) 0.00006 6.04051 451 C 8 g(c2) Ryd( 5g) 0.00005 6.15854 452 C 8 g(s2) Ryd( 5g) 0.00009 6.00232 453 C 8 g(c3) Ryd( 5g) 0.00006 6.13199 454 C 8 g(s3) Ryd( 5g) 0.00012 6.13716 455 C 8 g(c4) Ryd( 5g) 0.00010 6.31972 456 C 8 g(s4) Ryd( 5g) 0.00011 6.28841 457 C 9 s Cor( 1s) 1.99997 -10.24465 458 C 9 s Val( 2s) 1.00293 -0.20238 459 C 9 s Ryd( 3s) 0.00175 4.81825 460 C 9 s Ryd( 4s) 0.00007 5.15602 461 C 9 s Ryd( 5s) 0.00001 10.78520 462 C 9 s Ryd( 6s) 0.00000 13.45798 463 C 9 s Ryd( 7s) 0.00000 129.23892 464 C 9 px Val( 2p) 1.06672 -0.10017 465 C 9 px Ryd( 3p) 0.00387 1.31386 466 C 9 px Ryd( 4p) 0.00029 1.72381 467 C 9 px Ryd( 5p) 0.00003 4.97912 468 C 9 py Val( 2p) 1.08851 -0.06797 469 C 9 py Ryd( 3p) 0.00466 1.48412 470 C 9 py Ryd( 4p) 0.00011 1.42826 471 C 9 py Ryd( 5p) 0.00005 4.98781 472 C 9 pz Val( 2p) 1.02613 -0.12013 473 C 9 pz Ryd( 3p) 0.00270 1.17894 474 C 9 pz Ryd( 4p) 0.00023 1.11227 475 C 9 pz Ryd( 5p) 0.00003 4.51900 476 C 9 dxy Ryd( 3d) 0.00099 2.57298 477 C 9 dxy Ryd( 4d) 0.00067 4.35620 478 C 9 dxy Ryd( 5d) 0.00001 7.88984 479 C 9 dxz Ryd( 3d) 0.00246 3.61929 480 C 9 dxz Ryd( 4d) 0.00028 3.76476 481 C 9 dxz Ryd( 5d) 0.00001 7.86664 482 C 9 dyz Ryd( 3d) 0.00119 2.19147 483 C 9 dyz Ryd( 4d) 0.00046 3.50604 484 C 9 dyz Ryd( 5d) 0.00001 7.09595 485 C 9 dx2y2 Ryd( 3d) 0.00214 4.35310 486 C 9 dx2y2 Ryd( 4d) 0.00021 4.33725 487 C 9 dx2y2 Ryd( 5d) 0.00001 7.09775 488 C 9 dz2 Ryd( 3d) 0.00090 2.18836 489 C 9 dz2 Ryd( 4d) 0.00041 3.22049 490 C 9 dz2 Ryd( 5d) 0.00001 7.26751 491 C 9 f(0) Ryd( 4f) 0.00048 3.11729 492 C 9 f(0) Ryd( 5f) 0.00001 7.38390 493 C 9 f(c1) Ryd( 4f) 0.00052 2.98496 494 C 9 f(c1) Ryd( 5f) 0.00001 7.56894 495 C 9 f(s1) Ryd( 4f) 0.00029 3.20292 496 C 9 f(s1) Ryd( 5f) 0.00001 7.45959 497 C 9 f(c2) Ryd( 4f) 0.00038 3.52597 498 C 9 f(c2) Ryd( 5f) 0.00002 7.79668 499 C 9 f(s2) Ryd( 4f) 0.00065 3.53948 500 C 9 f(s2) Ryd( 5f) 0.00002 7.59190 501 C 9 f(c3) Ryd( 4f) 0.00038 3.66544 502 C 9 f(c3) Ryd( 5f) 0.00002 7.74818 503 C 9 f(s3) Ryd( 4f) 0.00047 3.89030 504 C 9 f(s3) Ryd( 5f) 0.00001 7.87561 505 C 9 g(0) Ryd( 5g) 0.00003 5.96921 506 C 9 g(c1) Ryd( 5g) 0.00003 5.97534 507 C 9 g(s1) Ryd( 5g) 0.00003 6.04770 508 C 9 g(c2) Ryd( 5g) 0.00007 6.15462 509 C 9 g(s2) Ryd( 5g) 0.00006 5.99626 510 C 9 g(c3) Ryd( 5g) 0.00008 6.25254 511 C 9 g(s3) Ryd( 5g) 0.00009 6.06427 512 C 9 g(c4) Ryd( 5g) 0.00011 6.37183 513 C 9 g(s4) Ryd( 5g) 0.00012 6.19440 514 C 10 s Cor( 1s) 1.99997 -10.23354 515 C 10 s Val( 2s) 1.00238 -0.19292 516 C 10 s Ryd( 3s) 0.00149 4.88052 517 C 10 s Ryd( 4s) 0.00008 5.11027 518 C 10 s Ryd( 5s) 0.00001 11.31963 519 C 10 s Ryd( 6s) 0.00000 14.02586 520 C 10 s Ryd( 7s) 0.00000 128.94833 521 C 10 px Val( 2p) 1.00325 -0.07715 522 C 10 px Ryd( 3p) 0.00381 1.40920 523 C 10 px Ryd( 4p) 0.00021 1.14477 524 C 10 px Ryd( 5p) 0.00005 4.76758 525 C 10 py Val( 2p) 1.17077 -0.06254 526 C 10 py Ryd( 3p) 0.00463 1.51621 527 C 10 py Ryd( 4p) 0.00022 1.79610 528 C 10 py Ryd( 5p) 0.00005 5.11120 529 C 10 pz Val( 2p) 1.01613 -0.11561 530 C 10 pz Ryd( 3p) 0.00284 1.12164 531 C 10 pz Ryd( 4p) 0.00038 1.51450 532 C 10 pz Ryd( 5p) 0.00002 4.64129 533 C 10 dxy Ryd( 3d) 0.00136 3.61255 534 C 10 dxy Ryd( 4d) 0.00038 4.35295 535 C 10 dxy Ryd( 5d) 0.00001 7.25830 536 C 10 dxz Ryd( 3d) 0.00165 3.52549 537 C 10 dxz Ryd( 4d) 0.00034 3.51084 538 C 10 dxz Ryd( 5d) 0.00001 7.42437 539 C 10 dyz Ryd( 3d) 0.00164 2.26121 540 C 10 dyz Ryd( 4d) 0.00037 3.80331 541 C 10 dyz Ryd( 5d) 0.00001 7.67107 542 C 10 dx2y2 Ryd( 3d) 0.00053 3.34954 543 C 10 dx2y2 Ryd( 4d) 0.00057 4.47122 544 C 10 dx2y2 Ryd( 5d) 0.00001 7.79552 545 C 10 dz2 Ryd( 3d) 0.00233 2.46927 546 C 10 dz2 Ryd( 4d) 0.00029 3.28663 547 C 10 dz2 Ryd( 5d) 0.00001 7.25627 548 C 10 f(0) Ryd( 4f) 0.00027 3.11203 549 C 10 f(0) Ryd( 5f) 0.00001 7.41110 550 C 10 f(c1) Ryd( 4f) 0.00023 2.88056 551 C 10 f(c1) Ryd( 5f) 0.00001 7.42869 552 C 10 f(s1) Ryd( 4f) 0.00049 3.18705 553 C 10 f(s1) Ryd( 5f) 0.00001 7.70701 554 C 10 f(c2) Ryd( 4f) 0.00065 3.63272 555 C 10 f(c2) Ryd( 5f) 0.00001 7.66171 556 C 10 f(s2) Ryd( 4f) 0.00053 3.44782 557 C 10 f(s2) Ryd( 5f) 0.00002 7.63379 558 C 10 f(c3) Ryd( 4f) 0.00054 3.86778 559 C 10 f(c3) Ryd( 5f) 0.00001 7.86540 560 C 10 f(s3) Ryd( 4f) 0.00041 3.70008 561 C 10 f(s3) Ryd( 5f) 0.00003 7.76764 562 C 10 g(0) Ryd( 5g) 0.00002 6.00171 563 C 10 g(c1) Ryd( 5g) 0.00002 5.96647 564 C 10 g(s1) Ryd( 5g) 0.00002 6.04033 565 C 10 g(c2) Ryd( 5g) 0.00011 6.01281 566 C 10 g(s2) Ryd( 5g) 0.00003 6.13743 567 C 10 g(c3) Ryd( 5g) 0.00008 6.04268 568 C 10 g(s3) Ryd( 5g) 0.00008 6.22953 569 C 10 g(c4) Ryd( 5g) 0.00012 6.22064 570 C 10 g(s4) Ryd( 5g) 0.00013 6.34754 571 H 11 s Val( 1s) 0.73581 0.04711 572 H 11 s Ryd( 3s) 0.00043 1.92606 573 H 11 s Ryd( 2s) 0.00028 1.04065 574 H 11 s Ryd( 4s) 0.00001 6.31641 575 H 11 px Ryd( 2p) 0.00027 2.73311 576 H 11 px Ryd( 3p) 0.00004 3.62432 577 H 11 px Ryd( 4p) 0.00001 8.10740 578 H 11 py Ryd( 2p) 0.00062 4.48271 579 H 11 py Ryd( 3p) 0.00009 6.11848 580 H 11 py Ryd( 4p) 0.00001 9.61753 581 H 11 pz Ryd( 2p) 0.00015 2.43620 582 H 11 pz Ryd( 3p) 0.00016 3.30517 583 H 11 pz Ryd( 4p) 0.00001 8.21004 584 H 11 dxy Ryd( 3d) 0.00014 4.07529 585 H 11 dxy Ryd( 4d) 0.00000 10.74023 586 H 11 dxz Ryd( 3d) 0.00002 3.09708 587 H 11 dxz Ryd( 4d) 0.00000 9.13478 588 H 11 dyz Ryd( 3d) 0.00013 3.94365 589 H 11 dyz Ryd( 4d) 0.00000 10.02535 590 H 11 dx2y2 Ryd( 3d) 0.00012 4.05580 591 H 11 dx2y2 Ryd( 4d) 0.00001 11.00325 592 H 11 dz2 Ryd( 3d) 0.00005 3.59935 593 H 11 dz2 Ryd( 4d) 0.00000 9.82572 594 H 11 f(0) Ryd( 4f) 0.00000 7.13805 595 H 11 f(c1) Ryd( 4f) 0.00000 6.96016 596 H 11 f(s1) Ryd( 4f) 0.00002 7.70847 597 H 11 f(c2) Ryd( 4f) 0.00001 7.35135 598 H 11 f(s2) Ryd( 4f) 0.00000 7.61928 599 H 11 f(c3) Ryd( 4f) 0.00003 7.73555 600 H 11 f(s3) Ryd( 4f) 0.00003 7.69819 601 H 12 s Val( 1s) 0.75747 0.02407 602 H 12 s Ryd( 3s) 0.00049 1.95615 603 H 12 s Ryd( 2s) 0.00020 0.99740 604 H 12 s Ryd( 4s) 0.00001 6.32957 605 H 12 px Ryd( 2p) 0.00075 4.59233 606 H 12 px Ryd( 3p) 0.00008 6.92609 607 H 12 px Ryd( 4p) 0.00001 10.01263 608 H 12 py Ryd( 2p) 0.00032 2.62405 609 H 12 py Ryd( 3p) 0.00006 3.38959 610 H 12 py Ryd( 4p) 0.00001 7.86118 611 H 12 pz Ryd( 2p) 0.00024 2.51192 612 H 12 pz Ryd( 3p) 0.00009 3.13920 613 H 12 pz Ryd( 4p) 0.00001 8.08936 614 H 12 dxy Ryd( 3d) 0.00012 4.06394 615 H 12 dxy Ryd( 4d) 0.00000 10.41513 616 H 12 dxz Ryd( 3d) 0.00011 3.90211 617 H 12 dxz Ryd( 4d) 0.00000 9.95604 618 H 12 dyz Ryd( 3d) 0.00001 3.04154 619 H 12 dyz Ryd( 4d) 0.00000 9.04575 620 H 12 dx2y2 Ryd( 3d) 0.00013 4.25376 621 H 12 dx2y2 Ryd( 4d) 0.00001 10.74575 622 H 12 dz2 Ryd( 3d) 0.00006 3.63317 623 H 12 dz2 Ryd( 4d) 0.00000 9.64488 624 H 12 f(0) Ryd( 4f) 0.00000 7.13389 625 H 12 f(c1) Ryd( 4f) 0.00002 7.74463 626 H 12 f(s1) Ryd( 4f) 0.00000 6.91877 627 H 12 f(c2) Ryd( 4f) 0.00001 7.24523 628 H 12 f(s2) Ryd( 4f) 0.00000 7.74556 629 H 12 f(c3) Ryd( 4f) 0.00004 7.72306 630 H 12 f(s3) Ryd( 4f) 0.00001 7.71288 631 H 13 s Val( 1s) 0.73777 0.04400 632 H 13 s Ryd( 3s) 0.00043 1.88793 633 H 13 s Ryd( 2s) 0.00025 1.02647 634 H 13 s Ryd( 4s) 0.00001 6.35702 635 H 13 px Ryd( 2p) 0.00030 2.82213 636 H 13 px Ryd( 3p) 0.00004 3.77834 637 H 13 px Ryd( 4p) 0.00001 8.17731 638 H 13 py Ryd( 2p) 0.00060 4.30742 639 H 13 py Ryd( 3p) 0.00009 6.19545 640 H 13 py Ryd( 4p) 0.00001 9.45981 641 H 13 pz Ryd( 2p) 0.00015 2.51166 642 H 13 pz Ryd( 3p) 0.00015 3.04191 643 H 13 pz Ryd( 4p) 0.00001 8.25120 644 H 13 dxy Ryd( 3d) 0.00013 4.08746 645 H 13 dxy Ryd( 4d) 0.00000 10.75740 646 H 13 dxz Ryd( 3d) 0.00003 3.15282 647 H 13 dxz Ryd( 4d) 0.00000 9.27737 648 H 13 dyz Ryd( 3d) 0.00009 3.80237 649 H 13 dyz Ryd( 4d) 0.00000 10.16066 650 H 13 dx2y2 Ryd( 3d) 0.00013 4.11911 651 H 13 dx2y2 Ryd( 4d) 0.00000 10.85544 652 H 13 dz2 Ryd( 3d) 0.00008 3.62491 653 H 13 dz2 Ryd( 4d) 0.00000 9.73509 654 H 13 f(0) Ryd( 4f) 0.00001 7.25033 655 H 13 f(c1) Ryd( 4f) 0.00000 7.04893 656 H 13 f(s1) Ryd( 4f) 0.00001 7.56929 657 H 13 f(c2) Ryd( 4f) 0.00001 7.42725 658 H 13 f(s2) Ryd( 4f) 0.00001 7.52370 659 H 13 f(c3) Ryd( 4f) 0.00003 7.70524 660 H 13 f(s3) Ryd( 4f) 0.00002 7.69023 661 H 14 s Val( 1s) 0.72537 0.06611 662 H 14 s Ryd( 2s) 0.00166 1.21151 663 H 14 s Ryd( 3s) 0.00031 1.69822 664 H 14 s Ryd( 4s) 0.00001 6.46643 665 H 14 px Ryd( 2p) 0.00065 3.76487 666 H 14 px Ryd( 3p) 0.00011 5.69945 667 H 14 px Ryd( 4p) 0.00001 9.01747 668 H 14 py Ryd( 2p) 0.00049 3.24310 669 H 14 py Ryd( 3p) 0.00006 5.13855 670 H 14 py Ryd( 4p) 0.00001 8.64097 671 H 14 pz Ryd( 2p) 0.00037 2.30697 672 H 14 pz Ryd( 3p) 0.00007 3.27139 673 H 14 pz Ryd( 4p) 0.00001 8.15361 674 H 14 dxy Ryd( 3d) 0.00012 4.20904 675 H 14 dxy Ryd( 4d) 0.00001 11.30253 676 H 14 dxz Ryd( 3d) 0.00007 3.52045 677 H 14 dxz Ryd( 4d) 0.00000 9.59897 678 H 14 dyz Ryd( 3d) 0.00005 3.39210 679 H 14 dyz Ryd( 4d) 0.00000 9.42080 680 H 14 dx2y2 Ryd( 3d) 0.00011 4.04710 681 H 14 dx2y2 Ryd( 4d) 0.00000 10.61272 682 H 14 dz2 Ryd( 3d) 0.00005 3.57803 683 H 14 dz2 Ryd( 4d) 0.00000 9.87401 684 H 14 f(0) Ryd( 4f) 0.00000 7.05642 685 H 14 f(c1) Ryd( 4f) 0.00002 7.43808 686 H 14 f(s1) Ryd( 4f) 0.00001 7.23127 687 H 14 f(c2) Ryd( 4f) 0.00000 7.77373 688 H 14 f(s2) Ryd( 4f) 0.00000 7.22523 689 H 14 f(c3) Ryd( 4f) 0.00002 7.71050 690 H 14 f(s3) Ryd( 4f) 0.00004 7.76767 691 H 15 s Val( 1s) 0.72321 0.06791 692 H 15 s Ryd( 2s) 0.00199 1.14488 693 H 15 s Ryd( 3s) 0.00033 1.75819 694 H 15 s Ryd( 4s) 0.00001 6.49998 695 H 15 px Ryd( 2p) 0.00067 3.94628 696 H 15 px Ryd( 3p) 0.00011 6.00773 697 H 15 px Ryd( 4p) 0.00001 9.16861 698 H 15 py Ryd( 2p) 0.00049 2.90391 699 H 15 py Ryd( 3p) 0.00008 4.41425 700 H 15 py Ryd( 4p) 0.00001 8.41481 701 H 15 pz Ryd( 2p) 0.00039 2.49611 702 H 15 pz Ryd( 3p) 0.00005 3.71140 703 H 15 pz Ryd( 4p) 0.00001 8.24304 704 H 15 dxy Ryd( 3d) 0.00011 4.00670 705 H 15 dxy Ryd( 4d) 0.00001 10.93128 706 H 15 dxz Ryd( 3d) 0.00009 3.79876 707 H 15 dxz Ryd( 4d) 0.00000 9.84777 708 H 15 dyz Ryd( 3d) 0.00004 3.29733 709 H 15 dyz Ryd( 4d) 0.00000 9.39218 710 H 15 dx2y2 Ryd( 3d) 0.00011 3.98769 711 H 15 dx2y2 Ryd( 4d) 0.00000 10.63762 712 H 15 dz2 Ryd( 3d) 0.00005 3.66729 713 H 15 dz2 Ryd( 4d) 0.00000 9.77644 714 H 15 f(0) Ryd( 4f) 0.00001 7.21678 715 H 15 f(c1) Ryd( 4f) 0.00001 7.48161 716 H 15 f(s1) Ryd( 4f) 0.00001 7.13930 717 H 15 f(c2) Ryd( 4f) 0.00000 7.60492 718 H 15 f(s2) Ryd( 4f) 0.00001 7.33223 719 H 15 f(c3) Ryd( 4f) 0.00001 7.67360 720 H 15 f(s3) Ryd( 4f) 0.00003 7.73003 721 H 16 s Val( 1s) 0.71338 0.06864 722 H 16 s Ryd( 2s) 0.00077 1.49022 723 H 16 s Ryd( 3s) 0.00039 1.54414 724 H 16 s Ryd( 4s) 0.00001 6.36981 725 H 16 px Ryd( 2p) 0.00065 3.98748 726 H 16 px Ryd( 3p) 0.00011 5.38815 727 H 16 px Ryd( 4p) 0.00001 9.28710 728 H 16 py Ryd( 2p) 0.00032 2.55516 729 H 16 py Ryd( 3p) 0.00007 3.45149 730 H 16 py Ryd( 4p) 0.00001 7.98133 731 H 16 pz Ryd( 2p) 0.00033 2.89997 732 H 16 pz Ryd( 3p) 0.00006 4.65823 733 H 16 pz Ryd( 4p) 0.00001 8.58603 734 H 16 dxy Ryd( 3d) 0.00010 3.73371 735 H 16 dxy Ryd( 4d) 0.00000 10.17734 736 H 16 dxz Ryd( 3d) 0.00015 4.36693 737 H 16 dxz Ryd( 4d) 0.00001 10.72820 738 H 16 dyz Ryd( 3d) 0.00005 3.33538 739 H 16 dyz Ryd( 4d) 0.00000 9.44485 740 H 16 dx2y2 Ryd( 3d) 0.00008 3.67225 741 H 16 dx2y2 Ryd( 4d) 0.00000 10.28666 742 H 16 dz2 Ryd( 3d) 0.00009 3.64252 743 H 16 dz2 Ryd( 4d) 0.00000 9.63635 744 H 16 f(0) Ryd( 4f) 0.00001 7.56075 745 H 16 f(c1) Ryd( 4f) 0.00000 7.38832 746 H 16 f(s1) Ryd( 4f) 0.00000 7.26783 747 H 16 f(c2) Ryd( 4f) 0.00003 7.31822 748 H 16 f(s2) Ryd( 4f) 0.00001 7.51145 749 H 16 f(c3) Ryd( 4f) 0.00002 7.53587 750 H 16 f(s3) Ryd( 4f) 0.00001 7.54496 751 H 17 s Val( 1s) 0.72692 0.05520 752 H 17 s Ryd( 3s) 0.00066 1.73117 753 H 17 s Ryd( 2s) 0.00019 1.08167 754 H 17 s Ryd( 4s) 0.00001 6.53029 755 H 17 px Ryd( 2p) 0.00035 2.66439 756 H 17 px Ryd( 3p) 0.00008 3.45053 757 H 17 px Ryd( 4p) 0.00001 8.19084 758 H 17 py Ryd( 2p) 0.00070 4.42738 759 H 17 py Ryd( 3p) 0.00007 6.79148 760 H 17 py Ryd( 4p) 0.00001 9.60013 761 H 17 pz Ryd( 2p) 0.00021 2.36291 762 H 17 pz Ryd( 3p) 0.00007 3.15723 763 H 17 pz Ryd( 4p) 0.00001 8.10758 764 H 17 dxy Ryd( 3d) 0.00010 4.03590 765 H 17 dxy Ryd( 4d) 0.00000 10.70163 766 H 17 dxz Ryd( 3d) 0.00002 3.17398 767 H 17 dxz Ryd( 4d) 0.00000 9.20324 768 H 17 dyz Ryd( 3d) 0.00010 3.88628 769 H 17 dyz Ryd( 4d) 0.00000 10.13775 770 H 17 dx2y2 Ryd( 3d) 0.00012 4.21356 771 H 17 dx2y2 Ryd( 4d) 0.00001 11.18585 772 H 17 dz2 Ryd( 3d) 0.00005 3.45468 773 H 17 dz2 Ryd( 4d) 0.00000 9.83775 774 H 17 f(0) Ryd( 4f) 0.00000 7.11951 775 H 17 f(c1) Ryd( 4f) 0.00000 6.87940 776 H 17 f(s1) Ryd( 4f) 0.00002 7.73394 777 H 17 f(c2) Ryd( 4f) 0.00000 7.40469 778 H 17 f(s2) Ryd( 4f) 0.00000 7.69311 779 H 17 f(c3) Ryd( 4f) 0.00003 7.73015 780 H 17 f(s3) Ryd( 4f) 0.00002 7.69401 781 H 18 s Val( 1s) 0.74997 0.02513 782 H 18 s Ryd( 3s) 0.00046 1.84251 783 H 18 s Ryd( 2s) 0.00016 0.91551 784 H 18 s Ryd( 4s) 0.00001 6.40992 785 H 18 px Ryd( 2p) 0.00041 3.35567 786 H 18 px Ryd( 3p) 0.00008 4.96346 787 H 18 px Ryd( 4p) 0.00001 8.75466 788 H 18 py Ryd( 2p) 0.00033 3.09564 789 H 18 py Ryd( 3p) 0.00006 4.10408 790 H 18 py Ryd( 4p) 0.00001 8.30274 791 H 18 pz Ryd( 2p) 0.00043 3.22248 792 H 18 pz Ryd( 3p) 0.00009 3.85606 793 H 18 pz Ryd( 4p) 0.00001 8.66341 794 H 18 dxy Ryd( 3d) 0.00009 3.84003 795 H 18 dxy Ryd( 4d) 0.00000 10.21790 796 H 18 dxz Ryd( 3d) 0.00009 4.03234 797 H 18 dxz Ryd( 4d) 0.00001 10.74937 798 H 18 dyz Ryd( 3d) 0.00007 3.59653 799 H 18 dyz Ryd( 4d) 0.00000 10.17345 800 H 18 dx2y2 Ryd( 3d) 0.00008 3.75826 801 H 18 dx2y2 Ryd( 4d) 0.00000 10.02656 802 H 18 dz2 Ryd( 3d) 0.00008 3.57839 803 H 18 dz2 Ryd( 4d) 0.00000 9.65504 804 H 18 f(0) Ryd( 4f) 0.00001 7.60224 805 H 18 f(c1) Ryd( 4f) 0.00001 7.45317 806 H 18 f(s1) Ryd( 4f) 0.00000 7.39201 807 H 18 f(c2) Ryd( 4f) 0.00001 7.47784 808 H 18 f(s2) Ryd( 4f) 0.00003 7.33803 809 H 18 f(c3) Ryd( 4f) 0.00001 7.51885 810 H 18 f(s3) Ryd( 4f) 0.00001 7.48482 811 H 19 s Val( 1s) 0.75014 0.02466 812 H 19 s Ryd( 3s) 0.00047 1.84124 813 H 19 s Ryd( 2s) 0.00016 0.91013 814 H 19 s Ryd( 4s) 0.00001 6.40782 815 H 19 px Ryd( 2p) 0.00042 3.38257 816 H 19 px Ryd( 3p) 0.00009 5.00851 817 H 19 px Ryd( 4p) 0.00001 8.77308 818 H 19 py Ryd( 2p) 0.00046 3.51514 819 H 19 py Ryd( 3p) 0.00007 4.63209 820 H 19 py Ryd( 4p) 0.00001 8.67360 821 H 19 pz Ryd( 2p) 0.00031 2.77402 822 H 19 pz Ryd( 3p) 0.00009 3.25414 823 H 19 pz Ryd( 4p) 0.00001 8.25460 824 H 19 dxy Ryd( 3d) 0.00012 4.12881 825 H 19 dxy Ryd( 4d) 0.00001 10.91207 826 H 19 dxz Ryd( 3d) 0.00007 3.75433 827 H 19 dxz Ryd( 4d) 0.00000 10.08736 828 H 19 dyz Ryd( 3d) 0.00006 3.46376 829 H 19 dyz Ryd( 4d) 0.00000 9.89070 830 H 19 dx2y2 Ryd( 3d) 0.00010 3.95235 831 H 19 dx2y2 Ryd( 4d) 0.00000 10.25555 832 H 19 dz2 Ryd( 3d) 0.00007 3.49454 833 H 19 dz2 Ryd( 4d) 0.00000 9.67034 834 H 19 f(0) Ryd( 4f) 0.00001 7.37528 835 H 19 f(c1) Ryd( 4f) 0.00000 7.30864 836 H 19 f(s1) Ryd( 4f) 0.00000 7.32039 837 H 19 f(c2) Ryd( 4f) 0.00000 7.63435 838 H 19 f(s2) Ryd( 4f) 0.00002 7.30664 839 H 19 f(c3) Ryd( 4f) 0.00002 7.69732 840 H 19 f(s3) Ryd( 4f) 0.00001 7.62025 841 H 20 s Val( 1s) 0.72736 0.05454 842 H 20 s Ryd( 3s) 0.00064 1.73193 843 H 20 s Ryd( 2s) 0.00019 1.09006 844 H 20 s Ryd( 4s) 0.00001 6.51547 845 H 20 px Ryd( 2p) 0.00034 2.65086 846 H 20 px Ryd( 3p) 0.00008 3.41715 847 H 20 px Ryd( 4p) 0.00001 8.17431 848 H 20 py Ryd( 2p) 0.00065 4.17493 849 H 20 py Ryd( 3p) 0.00007 6.04394 850 H 20 py Ryd( 4p) 0.00001 9.37366 851 H 20 pz Ryd( 2p) 0.00026 2.64090 852 H 20 pz Ryd( 3p) 0.00008 3.91133 853 H 20 pz Ryd( 4p) 0.00001 8.35626 854 H 20 dxy Ryd( 3d) 0.00009 3.81529 855 H 20 dxy Ryd( 4d) 0.00000 10.39695 856 H 20 dxz Ryd( 3d) 0.00004 3.38121 857 H 20 dxz Ryd( 4d) 0.00000 9.45649 858 H 20 dyz Ryd( 3d) 0.00013 4.12254 859 H 20 dyz Ryd( 4d) 0.00000 10.56904 860 H 20 dx2y2 Ryd( 3d) 0.00010 3.96782 861 H 20 dx2y2 Ryd( 4d) 0.00000 10.88576 862 H 20 dz2 Ryd( 3d) 0.00004 3.47315 863 H 20 dz2 Ryd( 4d) 0.00000 9.71905 864 H 20 f(0) Ryd( 4f) 0.00001 7.39432 865 H 20 f(c1) Ryd( 4f) 0.00000 7.10386 866 H 20 f(s1) Ryd( 4f) 0.00001 7.52827 867 H 20 f(c2) Ryd( 4f) 0.00002 7.35533 868 H 20 f(s2) Ryd( 4f) 0.00001 7.58452 869 H 20 f(c3) Ryd( 4f) 0.00002 7.61701 870 H 20 f(s3) Ryd( 4f) 0.00002 7.66846 871 S 21 s Cor( 1s) 2.00000 -87.61916 872 S 21 s Cor( 2s) 2.00000 -8.90347 873 S 21 s Val( 3s) 1.78594 -0.53429 874 S 21 s Ryd( 4s) 0.00414 3.96791 875 S 21 s Ryd( 5s) 0.00009 4.93549 876 S 21 s Ryd( 6s) 0.00000 9.16128 877 S 21 s Ryd( 7s) 0.00000 48.88075 878 S 21 s Ryd( 9s) 0.00000 266.36079 879 S 21 s Ryd( 8s) 0.00000 230.65959 880 S 21 px Cor( 2p) 2.00000 -5.85264 881 S 21 px Val( 3p) 1.08055 -0.18039 882 S 21 px Ryd( 4p) 0.00424 1.57096 883 S 21 px Ryd( 5p) 0.00017 1.68027 884 S 21 px Ryd( 6p) 0.00002 4.71936 885 S 21 px Ryd( 7p) 0.00000 28.24688 886 S 21 py Cor( 2p) 1.99999 -5.84680 887 S 21 py Val( 3p) 1.53543 -0.20715 888 S 21 py Ryd( 4p) 0.00135 1.11838 889 S 21 py Ryd( 5p) 0.00020 1.42022 890 S 21 py Ryd( 6p) 0.00002 4.24923 891 S 21 py Ryd( 7p) 0.00000 28.33088 892 S 21 pz Cor( 2p) 1.99999 -5.84326 893 S 21 pz Val( 3p) 1.77623 -0.20782 894 S 21 pz Ryd( 4p) 0.00211 0.78316 895 S 21 pz Ryd( 5p) 0.00012 1.31452 896 S 21 pz Ryd( 6p) 0.00001 4.22182 897 S 21 pz Ryd( 7p) 0.00000 28.31326 898 S 21 dxy Ryd( 3d) 0.00831 1.38156 899 S 21 dxy Ryd( 4d) 0.00094 1.65922 900 S 21 dxy Ryd( 5d) 0.00001 4.12225 901 S 21 dxy Ryd( 6d) 0.00000 8.65157 902 S 21 dxz Ryd( 3d) 0.00447 0.99865 903 S 21 dxz Ryd( 4d) 0.00059 1.64136 904 S 21 dxz Ryd( 5d) 0.00001 3.73766 905 S 21 dxz Ryd( 6d) 0.00000 8.83934 906 S 21 dyz Ryd( 3d) 0.00235 0.83788 907 S 21 dyz Ryd( 4d) 0.00050 1.43707 908 S 21 dyz Ryd( 5d) 0.00000 3.42651 909 S 21 dyz Ryd( 6d) 0.00000 8.94952 910 S 21 dx2y2 Ryd( 3d) 0.00666 1.14373 911 S 21 dx2y2 Ryd( 4d) 0.00111 1.74572 912 S 21 dx2y2 Ryd( 5d) 0.00001 3.76800 913 S 21 dx2y2 Ryd( 6d) 0.00000 8.80013 914 S 21 dz2 Ryd( 3d) 0.00481 0.83954 915 S 21 dz2 Ryd( 4d) 0.00068 1.36512 916 S 21 dz2 Ryd( 5d) 0.00001 3.63714 917 S 21 dz2 Ryd( 6d) 0.00000 8.82429 918 S 21 f(0) Ryd( 4f) 0.00050 1.80590 919 S 21 f(0) Ryd( 5f) 0.00002 3.73990 920 S 21 f(c1) Ryd( 4f) 0.00083 1.82610 921 S 21 f(c1) Ryd( 5f) 0.00004 3.67339 922 S 21 f(s1) Ryd( 4f) 0.00017 1.63457 923 S 21 f(s1) Ryd( 5f) 0.00001 3.66704 924 S 21 f(c2) Ryd( 4f) 0.00067 1.96146 925 S 21 f(c2) Ryd( 5f) 0.00002 3.88433 926 S 21 f(s2) Ryd( 4f) 0.00029 1.94691 927 S 21 f(s2) Ryd( 5f) 0.00004 3.67364 928 S 21 f(c3) Ryd( 4f) 0.00060 2.18681 929 S 21 f(c3) Ryd( 5f) 0.00004 3.95434 930 S 21 f(s3) Ryd( 4f) 0.00061 2.11896 931 S 21 f(s3) Ryd( 5f) 0.00008 3.82636 932 S 21 g(0) Ryd( 5g) 0.00001 3.59110 933 S 21 g(c1) Ryd( 5g) 0.00002 3.71519 934 S 21 g(s1) Ryd( 5g) 0.00000 3.55390 935 S 21 g(c2) Ryd( 5g) 0.00001 3.64363 936 S 21 g(s2) Ryd( 5g) 0.00001 3.66021 937 S 21 g(c3) Ryd( 5g) 0.00002 3.74274 938 S 21 g(s3) Ryd( 5g) 0.00002 3.67993 939 S 21 g(c4) Ryd( 5g) 0.00004 3.84571 940 S 21 g(s4) Ryd( 5g) 0.00003 3.84871 941 S 22 s Cor( 1s) 2.00000 -87.90032 942 S 22 s Cor( 2s) 2.00000 -8.69806 943 S 22 s Val( 3s) 1.77495 -0.56107 944 S 22 s Ryd( 4s) 0.00761 1.96577 945 S 22 s Ryd( 6s) 0.00005 7.95085 946 S 22 s Ryd( 5s) 0.00000 6.45109 947 S 22 s Ryd( 7s) 0.00000 42.93071 948 S 22 s Ryd( 8s) 0.00000 202.19097 949 S 22 s Ryd( 9s) 0.00000 296.54784 950 S 22 px Cor( 2p) 1.99999 -5.88765 951 S 22 px Val( 3p) 1.15628 -0.20719 952 S 22 px Ryd( 4p) 0.00434 0.80233 953 S 22 px Ryd( 5p) 0.00023 1.31313 954 S 22 px Ryd( 6p) 0.00001 6.63110 955 S 22 px Ryd( 7p) 0.00000 27.86255 956 S 22 py Cor( 2p) 1.99999 -5.88258 957 S 22 py Val( 3p) 1.53637 -0.22274 958 S 22 py Ryd( 4p) 0.00593 0.60726 959 S 22 py Ryd( 5p) 0.00016 1.33030 960 S 22 py Ryd( 6p) 0.00001 5.07311 961 S 22 py Ryd( 7p) 0.00000 28.29527 962 S 22 pz Cor( 2p) 1.99999 -5.88331 963 S 22 pz Val( 3p) 1.48118 -0.22487 964 S 22 pz Ryd( 4p) 0.00214 0.54923 965 S 22 pz Ryd( 5p) 0.00021 1.32234 966 S 22 pz Ryd( 6p) 0.00001 6.35726 967 S 22 pz Ryd( 7p) 0.00000 28.26485 968 S 22 dxy Ryd( 3d) 0.01037 0.64280 969 S 22 dxy Ryd( 4d) 0.00008 1.83921 970 S 22 dxy Ryd( 5d) 0.00002 4.16527 971 S 22 dxy Ryd( 6d) 0.00000 8.54193 972 S 22 dxz Ryd( 3d) 0.01517 0.71175 973 S 22 dxz Ryd( 4d) 0.00009 2.06124 974 S 22 dxz Ryd( 5d) 0.00002 4.11544 975 S 22 dxz Ryd( 6d) 0.00000 8.29529 976 S 22 dyz Ryd( 3d) 0.01127 0.65255 977 S 22 dyz Ryd( 4d) 0.00014 1.96679 978 S 22 dyz Ryd( 5d) 0.00001 3.94597 979 S 22 dyz Ryd( 6d) 0.00000 8.44581 980 S 22 dx2y2 Ryd( 3d) 0.01193 0.69019 981 S 22 dx2y2 Ryd( 4d) 0.00013 2.08810 982 S 22 dx2y2 Ryd( 5d) 0.00002 4.20272 983 S 22 dx2y2 Ryd( 6d) 0.00000 8.30237 984 S 22 dz2 Ryd( 3d) 0.00868 0.57290 985 S 22 dz2 Ryd( 4d) 0.00004 1.63104 986 S 22 dz2 Ryd( 5d) 0.00002 3.76239 987 S 22 dz2 Ryd( 6d) 0.00000 8.55578 988 S 22 f(0) Ryd( 4f) 0.00051 1.61359 989 S 22 f(0) Ryd( 5f) 0.00001 3.75137 990 S 22 f(c1) Ryd( 4f) 0.00036 1.70123 991 S 22 f(c1) Ryd( 5f) 0.00002 3.71070 992 S 22 f(s1) Ryd( 4f) 0.00031 1.58483 993 S 22 f(s1) Ryd( 5f) 0.00002 3.67687 994 S 22 f(c2) Ryd( 4f) 0.00084 1.80938 995 S 22 f(c2) Ryd( 5f) 0.00002 3.86415 996 S 22 f(s2) Ryd( 4f) 0.00083 1.78975 997 S 22 f(s2) Ryd( 5f) 0.00003 3.94777 998 S 22 f(c3) Ryd( 4f) 0.00091 1.79380 999 S 22 f(c3) Ryd( 5f) 0.00003 3.88740 1000 S 22 f(s3) Ryd( 4f) 0.00048 1.81214 1001 S 22 f(s3) Ryd( 5f) 0.00002 3.79463 1002 S 22 g(0) Ryd( 5g) 0.00005 3.47382 1003 S 22 g(c1) Ryd( 5g) 0.00005 3.59319 1004 S 22 g(s1) Ryd( 5g) 0.00002 3.49389 1005 S 22 g(c2) Ryd( 5g) 0.00004 3.62120 1006 S 22 g(s2) Ryd( 5g) 0.00004 3.56752 1007 S 22 g(c3) Ryd( 5g) 0.00008 3.69214 1008 S 22 g(s3) Ryd( 5g) 0.00004 3.71722 1009 S 22 g(c4) Ryd( 5g) 0.00005 3.63454 1010 S 22 g(s4) Ryd( 5g) 0.00006 3.63929 1011 S 23 s Cor( 1s) 2.00000 -87.97387 1012 S 23 s Cor( 2s) 2.00000 -8.62430 1013 S 23 s Val( 3s) 1.79989 -0.57030 1014 S 23 s Ryd( 4s) 0.00532 1.76130 1015 S 23 s Ryd( 5s) 0.00006 6.36538 1016 S 23 s Ryd( 6s) 0.00000 12.34437 1017 S 23 s Ryd( 7s) 0.00000 43.24512 1018 S 23 s Ryd( 8s) 0.00000 207.13415 1019 S 23 s Ryd( 9s) 0.00000 287.36393 1020 S 23 px Cor( 2p) 1.99999 -5.88189 1021 S 23 px Val( 3p) 1.61617 -0.23102 1022 S 23 px Ryd( 4p) 0.00255 0.71618 1023 S 23 px Ryd( 5p) 0.00028 1.28989 1024 S 23 px Ryd( 6p) 0.00001 5.50552 1025 S 23 px Ryd( 7p) 0.00000 28.36913 1026 S 23 py Cor( 2p) 1.99999 -5.88981 1027 S 23 py Val( 3p) 1.00419 -0.20436 1028 S 23 py Ryd( 4p) 0.00457 0.63111 1029 S 23 py Ryd( 5p) 0.00018 1.37941 1030 S 23 py Ryd( 6p) 0.00000 6.12462 1031 S 23 py Ryd( 7p) 0.00000 28.10960 1032 S 23 pz Cor( 2p) 1.99999 -5.88235 1033 S 23 pz Val( 3p) 1.55233 -0.22631 1034 S 23 pz Ryd( 4p) 0.00208 0.53980 1035 S 23 pz Ryd( 5p) 0.00024 1.32837 1036 S 23 pz Ryd( 6p) 0.00001 5.52772 1037 S 23 pz Ryd( 7p) 0.00000 28.35574 1038 S 23 dxy Ryd( 3d) 0.01001 0.72384 1039 S 23 dxy Ryd( 4d) 0.00012 2.24279 1040 S 23 dxy Ryd( 5d) 0.00001 3.94892 1041 S 23 dxy Ryd( 6d) 0.00000 8.14705 1042 S 23 dxz Ryd( 3d) 0.00837 0.56609 1043 S 23 dxz Ryd( 4d) 0.00009 1.85852 1044 S 23 dxz Ryd( 5d) 0.00001 3.70641 1045 S 23 dxz Ryd( 6d) 0.00000 8.45943 1046 S 23 dyz Ryd( 3d) 0.01303 0.73864 1047 S 23 dyz Ryd( 4d) 0.00008 2.15387 1048 S 23 dyz Ryd( 5d) 0.00001 3.85744 1049 S 23 dyz Ryd( 6d) 0.00000 8.19073 1050 S 23 dx2y2 Ryd( 3d) 0.01014 0.59928 1051 S 23 dx2y2 Ryd( 4d) 0.00007 1.83300 1052 S 23 dx2y2 Ryd( 5d) 0.00001 3.82671 1053 S 23 dx2y2 Ryd( 6d) 0.00000 8.42506 1054 S 23 dz2 Ryd( 3d) 0.00852 0.55957 1055 S 23 dz2 Ryd( 4d) 0.00007 1.71240 1056 S 23 dz2 Ryd( 5d) 0.00002 3.62833 1057 S 23 dz2 Ryd( 6d) 0.00000 8.42683 1058 S 23 f(0) Ryd( 4f) 0.00045 1.57623 1059 S 23 f(0) Ryd( 5f) 0.00001 3.68252 1060 S 23 f(c1) Ryd( 4f) 0.00029 1.51884 1061 S 23 f(c1) Ryd( 5f) 0.00001 3.61319 1062 S 23 f(s1) Ryd( 4f) 0.00038 1.70851 1063 S 23 f(s1) Ryd( 5f) 0.00002 3.71405 1064 S 23 f(c2) Ryd( 4f) 0.00050 1.68959 1065 S 23 f(c2) Ryd( 5f) 0.00002 3.70350 1066 S 23 f(s2) Ryd( 4f) 0.00076 1.82322 1067 S 23 f(s2) Ryd( 5f) 0.00002 3.92054 1068 S 23 f(c3) Ryd( 4f) 0.00069 1.77250 1069 S 23 f(c3) Ryd( 5f) 0.00002 3.91457 1070 S 23 f(s3) Ryd( 4f) 0.00017 1.71392 1071 S 23 f(s3) Ryd( 5f) 0.00002 3.70067 1072 S 23 g(0) Ryd( 5g) 0.00004 3.49557 1073 S 23 g(c1) Ryd( 5g) 0.00002 3.42928 1074 S 23 g(s1) Ryd( 5g) 0.00005 3.60111 1075 S 23 g(c2) Ryd( 5g) 0.00002 3.53168 1076 S 23 g(s2) Ryd( 5g) 0.00004 3.63515 1077 S 23 g(c3) Ryd( 5g) 0.00006 3.63320 1078 S 23 g(s3) Ryd( 5g) 0.00001 3.65590 1079 S 23 g(c4) Ryd( 5g) 0.00003 3.60983 1080 S 23 g(s4) Ryd( 5g) 0.00005 3.61477 1081 S 24 s Cor( 1s) 2.00000 -87.89816 1082 S 24 s Cor( 2s) 2.00000 -8.70119 1083 S 24 s Val( 3s) 1.77516 -0.56158 1084 S 24 s Ryd( 4s) 0.00778 1.95727 1085 S 24 s Ryd( 6s) 0.00005 7.89342 1086 S 24 s Ryd( 5s) 0.00000 6.50249 1087 S 24 s Ryd( 7s) 0.00000 42.92236 1088 S 24 s Ryd( 8s) 0.00000 204.33998 1089 S 24 s Ryd( 9s) 0.00000 294.32826 1090 S 24 px Cor( 2p) 1.99999 -5.88810 1091 S 24 px Val( 3p) 1.15731 -0.20754 1092 S 24 px Ryd( 4p) 0.00434 0.81667 1093 S 24 px Ryd( 5p) 0.00023 1.31356 1094 S 24 px Ryd( 6p) 0.00001 6.58484 1095 S 24 px Ryd( 7p) 0.00000 27.86398 1096 S 24 py Cor( 2p) 1.99999 -5.88595 1097 S 24 py Val( 3p) 1.33852 -0.21971 1098 S 24 py Ryd( 4p) 0.00395 0.71660 1099 S 24 py Ryd( 5p) 0.00021 1.30485 1100 S 24 py Ryd( 6p) 0.00001 6.14994 1101 S 24 py Ryd( 7p) 0.00000 28.19361 1102 S 24 pz Cor( 2p) 1.99999 -5.88090 1103 S 24 pz Val( 3p) 1.67979 -0.22912 1104 S 24 pz Ryd( 4p) 0.00409 0.46289 1105 S 24 pz Ryd( 5p) 0.00016 1.34075 1106 S 24 pz Ryd( 6p) 0.00001 5.27577 1107 S 24 pz Ryd( 7p) 0.00000 28.35955 1108 S 24 dxy Ryd( 3d) 0.01342 0.67746 1109 S 24 dxy Ryd( 4d) 0.00012 1.95692 1110 S 24 dxy Ryd( 5d) 0.00002 4.14662 1111 S 24 dxy Ryd( 6d) 0.00000 8.47745 1112 S 24 dxz Ryd( 3d) 0.01236 0.68343 1113 S 24 dxz Ryd( 4d) 0.00006 1.92449 1114 S 24 dxz Ryd( 5d) 0.00002 4.16589 1115 S 24 dxz Ryd( 6d) 0.00000 8.34968 1116 S 24 dyz Ryd( 3d) 0.00734 0.58322 1117 S 24 dyz Ryd( 4d) 0.00008 1.66866 1118 S 24 dyz Ryd( 5d) 0.00001 3.72802 1119 S 24 dyz Ryd( 6d) 0.00000 8.56814 1120 S 24 dx2y2 Ryd( 3d) 0.01512 0.76064 1121 S 24 dx2y2 Ryd( 4d) 0.00014 2.37774 1122 S 24 dx2y2 Ryd( 5d) 0.00002 4.31397 1123 S 24 dx2y2 Ryd( 6d) 0.00000 8.18718 1124 S 24 dz2 Ryd( 3d) 0.00918 0.56049 1125 S 24 dz2 Ryd( 4d) 0.00011 1.56687 1126 S 24 dz2 Ryd( 5d) 0.00002 3.83844 1127 S 24 dz2 Ryd( 6d) 0.00000 8.58383 1128 S 24 f(0) Ryd( 4f) 0.00065 1.61775 1129 S 24 f(0) Ryd( 5f) 0.00001 3.74934 1130 S 24 f(c1) Ryd( 4f) 0.00047 1.68968 1131 S 24 f(c1) Ryd( 5f) 0.00003 3.67278 1132 S 24 f(s1) Ryd( 4f) 0.00034 1.52106 1133 S 24 f(s1) Ryd( 5f) 0.00001 3.62529 1134 S 24 f(c2) Ryd( 4f) 0.00088 1.83678 1135 S 24 f(c2) Ryd( 5f) 0.00002 3.95370 1136 S 24 f(s2) Ryd( 4f) 0.00058 1.68652 1137 S 24 f(s2) Ryd( 5f) 0.00002 3.74023 1138 S 24 f(c3) Ryd( 4f) 0.00107 1.91030 1139 S 24 f(c3) Ryd( 5f) 0.00002 4.13466 1140 S 24 f(s3) Ryd( 4f) 0.00027 1.83804 1141 S 24 f(s3) Ryd( 5f) 0.00003 3.76383 1142 S 24 g(0) Ryd( 5g) 0.00004 3.50594 1143 S 24 g(c1) Ryd( 5g) 0.00006 3.59958 1144 S 24 g(s1) Ryd( 5g) 0.00003 3.42039 1145 S 24 g(c2) Ryd( 5g) 0.00003 3.60877 1146 S 24 g(s2) Ryd( 5g) 0.00002 3.52392 1147 S 24 g(c3) Ryd( 5g) 0.00008 3.71238 1148 S 24 g(s3) Ryd( 5g) 0.00002 3.66150 1149 S 24 g(c4) Ryd( 5g) 0.00007 3.73428 1150 S 24 g(s4) Ryd( 5g) 0.00008 3.66342 1151 S 25 s Cor( 1s) 2.00000 -87.60963 1152 S 25 s Cor( 2s) 2.00000 -8.91418 1153 S 25 s Val( 3s) 1.78572 -0.53466 1154 S 25 s Ryd( 4s) 0.00394 3.99638 1155 S 25 s Ryd( 5s) 0.00009 4.93991 1156 S 25 s Ryd( 6s) 0.00000 9.23298 1157 S 25 s Ryd( 7s) 0.00000 48.99461 1158 S 25 s Ryd( 9s) 0.00000 262.92801 1159 S 25 s Ryd( 8s) 0.00000 233.93342 1160 S 25 px Cor( 2p) 2.00000 -5.85318 1161 S 25 px Val( 3p) 1.08547 -0.18136 1162 S 25 px Ryd( 4p) 0.00428 1.55427 1163 S 25 px Ryd( 5p) 0.00017 1.67349 1164 S 25 px Ryd( 6p) 0.00002 4.72264 1165 S 25 px Ryd( 7p) 0.00000 28.24647 1166 S 25 py Cor( 2p) 1.99999 -5.84566 1167 S 25 py Val( 3p) 1.65735 -0.20818 1168 S 25 py Ryd( 4p) 0.00195 1.01117 1169 S 25 py Ryd( 5p) 0.00018 1.38595 1170 S 25 py Ryd( 6p) 0.00002 4.16412 1171 S 25 py Ryd( 7p) 0.00000 28.33019 1172 S 25 pz Cor( 2p) 1.99999 -5.84568 1173 S 25 pz Val( 3p) 1.64546 -0.20752 1174 S 25 pz Ryd( 4p) 0.00154 0.89819 1175 S 25 pz Ryd( 5p) 0.00014 1.35998 1176 S 25 pz Ryd( 6p) 0.00002 4.35434 1177 S 25 pz Ryd( 7p) 0.00000 28.30609 1178 S 25 dxy Ryd( 3d) 0.00546 1.17879 1179 S 25 dxy Ryd( 4d) 0.00112 1.58166 1180 S 25 dxy Ryd( 5d) 0.00002 3.96559 1181 S 25 dxy Ryd( 6d) 0.00000 8.74709 1182 S 25 dxz Ryd( 3d) 0.00758 1.20268 1183 S 25 dxz Ryd( 4d) 0.00041 1.71919 1184 S 25 dxz Ryd( 5d) 0.00000 3.91757 1185 S 25 dxz Ryd( 6d) 0.00000 8.72256 1186 S 25 dyz Ryd( 3d) 0.00356 0.87503 1187 S 25 dyz Ryd( 4d) 0.00087 1.38495 1188 S 25 dyz Ryd( 5d) 0.00001 3.50616 1189 S 25 dyz Ryd( 6d) 0.00000 8.88125 1190 S 25 dx2y2 Ryd( 3d) 0.00664 1.08535 1191 S 25 dx2y2 Ryd( 4d) 0.00077 1.68516 1192 S 25 dx2y2 Ryd( 5d) 0.00001 3.78781 1193 S 25 dx2y2 Ryd( 6d) 0.00000 8.79106 1194 S 25 dz2 Ryd( 3d) 0.00369 0.86007 1195 S 25 dz2 Ryd( 4d) 0.00067 1.48025 1196 S 25 dz2 Ryd( 5d) 0.00001 3.55599 1197 S 25 dz2 Ryd( 6d) 0.00000 8.89497 1198 S 25 f(0) Ryd( 4f) 0.00043 1.77683 1199 S 25 f(0) Ryd( 5f) 0.00001 3.87189 1200 S 25 f(c1) Ryd( 4f) 0.00047 1.96475 1201 S 25 f(c1) Ryd( 5f) 0.00006 3.61343 1202 S 25 f(s1) Ryd( 4f) 0.00007 1.63437 1203 S 25 f(s1) Ryd( 5f) 0.00001 3.57629 1204 S 25 f(c2) Ryd( 4f) 0.00071 2.08164 1205 S 25 f(c2) Ryd( 5f) 0.00004 4.01530 1206 S 25 f(s2) Ryd( 4f) 0.00040 1.90961 1207 S 25 f(s2) Ryd( 5f) 0.00003 3.70239 1208 S 25 f(c3) Ryd( 4f) 0.00080 2.09550 1209 S 25 f(c3) Ryd( 5f) 0.00003 3.98270 1210 S 25 f(s3) Ryd( 4f) 0.00069 2.04784 1211 S 25 f(s3) Ryd( 5f) 0.00006 3.68818 1212 S 25 g(0) Ryd( 5g) 0.00001 3.63359 1213 S 25 g(c1) Ryd( 5g) 0.00003 3.69510 1214 S 25 g(s1) Ryd( 5g) 0.00000 3.47293 1215 S 25 g(c2) Ryd( 5g) 0.00001 3.66295 1216 S 25 g(s2) Ryd( 5g) 0.00000 3.70390 1217 S 25 g(c3) Ryd( 5g) 0.00004 3.78572 1218 S 25 g(s3) Ryd( 5g) 0.00001 3.78382 1219 S 25 g(c4) Ryd( 5g) 0.00004 3.75837 1220 S 25 g(s4) Ryd( 5g) 0.00002 3.79448 1221 Mo 26 s Cor( 4s) 1.99992 -2.60298 1222 Mo 26 s Val( 5s) 0.27531 0.97388 1223 Mo 26 s Ryd( 7s) 0.00550 3.91345 1224 Mo 26 s Ryd( 9s) 0.00166 12.87509 1225 Mo 26 s Ryd( 8s) 0.00012 10.68173 1226 Mo 26 s Ryd( 6s) 0.00002 3.85643 1227 Mo 26 s Ryd(10s) 0.00000 71.51064 1228 Mo 26 px Cor( 4p) 1.99982 -1.58888 1229 Mo 26 px Ryd( 8p) 0.00391 5.27640 1230 Mo 26 px Ryd( 6p) 0.00130 3.39013 1231 Mo 26 px Ryd( 5p) 0.00039 0.84685 1232 Mo 26 px Ryd( 7p) 0.00008 4.75548 1233 Mo 26 py Cor( 4p) 1.99984 -1.57381 1234 Mo 26 py Ryd( 8p) 0.00208 3.22348 1235 Mo 26 py Ryd( 6p) 0.00076 2.50424 1236 Mo 26 py Ryd( 5p) 0.00018 0.72875 1237 Mo 26 py Ryd( 7p) 0.00006 5.27942 1238 Mo 26 pz Cor( 4p) 1.99974 -1.60527 1239 Mo 26 pz Ryd( 8p) 0.00105 7.20870 1240 Mo 26 pz Ryd( 6p) 0.00062 5.36521 1241 Mo 26 pz Ryd( 5p) 0.00016 1.24632 1242 Mo 26 pz Ryd( 7p) 0.00003 4.58176 1243 Mo 26 dxy Val( 4d) 1.03411 -0.17942 1244 Mo 26 dxy Ryd( 5d) 0.00803 0.99609 1245 Mo 26 dxy Ryd( 6d) 0.00164 1.50776 1246 Mo 26 dxy Ryd( 7d) 0.00007 4.01807 1247 Mo 26 dxz Val( 4d) 0.89466 -0.19411 1248 Mo 26 dxz Ryd( 5d) 0.00881 1.03977 1249 Mo 26 dxz Ryd( 6d) 0.00051 2.16274 1250 Mo 26 dxz Ryd( 7d) 0.00013 5.48903 1251 Mo 26 dyz Val( 4d) 0.98368 -0.18464 1252 Mo 26 dyz Ryd( 5d) 0.00491 1.23664 1253 Mo 26 dyz Ryd( 6d) 0.00063 1.77013 1254 Mo 26 dyz Ryd( 7d) 0.00010 4.75251 1255 Mo 26 dx2y2 Val( 4d) 1.57470 -0.16484 1256 Mo 26 dx2y2 Ryd( 5d) 0.01761 0.72398 1257 Mo 26 dx2y2 Ryd( 6d) 0.00177 1.41458 1258 Mo 26 dx2y2 Ryd( 7d) 0.00006 3.99577 1259 Mo 26 dz2 Val( 4d) 1.00430 -0.20440 1260 Mo 26 dz2 Ryd( 5d) 0.01037 1.59371 1261 Mo 26 dz2 Ryd( 6d) 0.00100 2.22952 1262 Mo 26 dz2 Ryd( 7d) 0.00008 6.07820 1263 Mo 26 f(0) Ryd( 5f) 0.00065 4.11694 1264 Mo 26 f(0) Ryd( 4f) 0.00036 3.61127 1265 Mo 26 f(0) Ryd( 6f) 0.00001 5.81294 1266 Mo 26 f(c1) Ryd( 5f) 0.00059 4.18115 1267 Mo 26 f(c1) Ryd( 4f) 0.00031 3.43112 1268 Mo 26 f(c1) Ryd( 6f) 0.00001 5.45829 1269 Mo 26 f(s1) Ryd( 5f) 0.00074 3.82793 1270 Mo 26 f(s1) Ryd( 4f) 0.00033 3.47335 1271 Mo 26 f(s1) Ryd( 6f) 0.00001 5.58613 1272 Mo 26 f(c2) Ryd( 5f) 0.00066 3.45538 1273 Mo 26 f(c2) Ryd( 4f) 0.00022 3.14386 1274 Mo 26 f(c2) Ryd( 6f) 0.00001 5.12793 1275 Mo 26 f(s2) Ryd( 5f) 0.00067 3.71264 1276 Mo 26 f(s2) Ryd( 4f) 0.00028 2.97760 1277 Mo 26 f(s2) Ryd( 6f) 0.00001 4.77073 1278 Mo 26 f(c3) Ryd( 5f) 0.00112 2.63103 1279 Mo 26 f(c3) Ryd( 4f) 0.00020 2.50950 1280 Mo 26 f(c3) Ryd( 6f) 0.00001 4.69408 1281 Mo 26 f(s3) Ryd( 5f) 0.00055 2.71388 1282 Mo 26 f(s3) Ryd( 4f) 0.00019 2.63834 1283 Mo 26 f(s3) Ryd( 6f) 0.00002 4.84418 1284 Mo 26 g(0) Ryd( 5g) 0.00026 3.59616 1285 Mo 26 g(0) Ryd( 6g) 0.00002 4.82166 1286 Mo 26 g(c1) Ryd( 5g) 0.00021 3.66321 1287 Mo 26 g(c1) Ryd( 6g) 0.00002 4.90233 1288 Mo 26 g(s1) Ryd( 5g) 0.00028 3.47818 1289 Mo 26 g(s1) Ryd( 6g) 0.00002 4.70045 1290 Mo 26 g(c2) Ryd( 5g) 0.00020 3.15379 1291 Mo 26 g(c2) Ryd( 6g) 0.00001 4.61824 1292 Mo 26 g(s2) Ryd( 5g) 0.00012 3.38383 1293 Mo 26 g(s2) Ryd( 6g) 0.00002 4.83134 1294 Mo 26 g(c3) Ryd( 5g) 0.00013 2.99982 1295 Mo 26 g(c3) Ryd( 6g) 0.00001 4.52250 1296 Mo 26 g(s3) Ryd( 5g) 0.00014 2.85633 1297 Mo 26 g(s3) Ryd( 6g) 0.00001 4.59360 1298 Mo 26 g(c4) Ryd( 5g) 0.00040 2.43477 1299 Mo 26 g(c4) Ryd( 6g) 0.00001 4.55908 1300 Mo 26 g(s4) Ryd( 5g) 0.00011 2.56862 1301 Mo 26 g(s4) Ryd( 6g) 0.00001 4.48333 [28 electrons found in the effective core potential] Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.26379 1.99997 4.23573 0.02808 6.26379 C 2 -0.21671 1.99997 4.18938 0.02736 6.21671 C 3 -0.26360 1.99997 4.23575 0.02788 6.26360 C 4 -0.17625 1.99997 4.14677 0.02951 6.17625 C 5 -0.18779 1.99997 4.15772 0.03009 6.18779 C 6 -0.24852 1.99997 4.21815 0.03039 6.24852 C 7 -0.21804 1.99997 4.19089 0.02718 6.21804 C 8 -0.21156 1.99997 4.18411 0.02748 6.21156 C 9 -0.21173 1.99997 4.18430 0.02746 6.21173 C 10 -0.21965 1.99997 4.19253 0.02716 6.21965 H 11 0.26155 0.00000 0.73581 0.00263 0.73845 H 12 0.23972 0.00000 0.75747 0.00281 0.76028 H 13 0.25963 0.00000 0.73777 0.00260 0.74037 H 14 0.27036 0.00000 0.72537 0.00426 0.72964 H 15 0.27213 0.00000 0.72321 0.00465 0.72787 H 16 0.28332 0.00000 0.71338 0.00330 0.71668 H 17 0.27021 0.00000 0.72692 0.00287 0.72979 H 18 0.24745 0.00000 0.74997 0.00258 0.75255 H 19 0.24727 0.00000 0.75014 0.00259 0.75273 H 20 0.26980 0.00000 0.72736 0.00285 0.73020 S 21 -0.22515 9.99998 6.17814 0.04703 16.22515 S 22 -0.03229 9.99998 5.94877 0.08354 16.03229 S 23 -0.04213 9.99998 5.97259 0.06956 16.04213 S 24 -0.03444 9.99998 5.95077 0.08369 16.03444 S 25 -0.22115 9.99998 6.17401 0.04717 16.22115 Mo 26 0.15137 35.99932 5.76675 0.08257 41.84863 ==================================================================== * Total * 0.00000 105.99896 85.27377 0.72728 192.00000 Natural Population --------------------------------------------------------- Effective Core 28.00000 Core 77.99896 ( 99.9987% of 78) Valence 85.27377 ( 99.1555% of 86) Natural Minimal Basis 191.27272 ( 99.6212% of 192) Natural Rydberg Basis 0.72728 ( 0.3788% of 192) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 1.00)2p( 3.24)3p( 0.01)3d( 0.01) C 2 [core]2s( 1.00)2p( 3.19)3p( 0.01)3d( 0.01) C 3 [core]2s( 1.00)2p( 3.24)3p( 0.01)3d( 0.01) C 4 [core]2s( 1.01)2p( 3.14)3d( 0.01)4p( 0.01) C 5 [core]2s( 1.01)2p( 3.15)3d( 0.01)4p( 0.01) C 6 [core]2s( 1.01)2p( 3.21)3p( 0.01)3d( 0.01) C 7 [core]2s( 1.00)2p( 3.19)3p( 0.01)3d( 0.01) C 8 [core]2s( 1.00)2p( 3.18)3p( 0.01)3d( 0.01) C 9 [core]2s( 1.00)2p( 3.18)3p( 0.01)3d( 0.01) C 10 [core]2s( 1.00)2p( 3.19)3p( 0.01)3d( 0.01) H 11 1s( 0.74) H 12 1s( 0.76) H 13 1s( 0.74) H 14 1s( 0.73) H 15 1s( 0.72) H 16 1s( 0.71) H 17 1s( 0.73) H 18 1s( 0.75) H 19 1s( 0.75) H 20 1s( 0.73) S 21 [core]3s( 1.79)3p( 4.39)3d( 0.03)4p( 0.01) S 22 [core]3s( 1.77)3p( 4.17)4s( 0.01)3d( 0.06)4p( 0.01) S 23 [core]3s( 1.80)3p( 4.17)4s( 0.01)3d( 0.05)4p( 0.01) S 24 [core]3s( 1.78)3p( 4.18)4s( 0.01)3d( 0.06)4p( 0.01) S 25 [core]3s( 1.79)3p( 4.39)3d( 0.03)4p( 0.01) Mo 26 [core]5s( 0.28)4d( 5.49)5d( 0.05)7s( 0.01)6d( 0.01) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 1.2186 0.0192 0.0175 1.2516 0.0170 0.0157 0.0232 0.0065 2. C 1.2186 0.0000 1.2132 0.0152 0.0149 0.0079 0.0034 0.0271 0.0248 3. C 0.0192 1.2132 0.0000 1.2675 0.0176 0.0159 0.0119 0.0056 0.0249 4. C 0.0175 0.0152 1.2675 0.0000 1.2887 0.0128 0.0216 0.0117 0.0029 5. C 1.2516 0.0149 0.0176 1.2887 0.0000 0.0127 0.0030 0.0035 0.0115 6. C 0.0170 0.0079 0.0159 0.0128 0.0127 0.0000 1.2077 0.0184 0.0182 7. C 0.0157 0.0034 0.0119 0.0216 0.0030 1.2077 0.0000 1.3276 0.0207 8. C 0.0232 0.0271 0.0056 0.0117 0.0035 0.0184 1.3276 0.0000 1.2388 9. C 0.0065 0.0248 0.0249 0.0029 0.0115 0.0182 0.0207 1.2388 0.0000 10. C 0.0121 0.0043 0.0160 0.0022 0.0222 1.2095 0.0158 0.0209 1.3254 11. H 0.8988 0.0025 0.0073 0.0078 0.0033 0.0005 0.0005 0.0004 0.0000 12. H 0.0028 0.9104 0.0028 0.0082 0.0083 0.0004 0.0001 0.0006 0.0006 13. H 0.0074 0.0024 0.8999 0.0034 0.0081 0.0005 0.0002 0.0001 0.0004 14. H 0.0087 0.0081 0.0028 0.8896 0.0030 0.0001 0.0001 0.0002 0.0000 15. H 0.0028 0.0080 0.0087 0.0030 0.8866 0.0001 0.0001 0.0000 0.0002 16. H 0.0001 0.0013 0.0001 0.0002 0.0002 0.8859 0.0028 0.0083 0.0083 17. H 0.0004 0.0001 0.0005 0.0002 0.0001 0.0029 0.8918 0.0028 0.0081 18. H 0.0006 0.0003 0.0001 0.0002 0.0001 0.0094 0.0033 0.9066 0.0024 19. H 0.0001 0.0003 0.0006 0.0001 0.0002 0.0094 0.0081 0.0024 0.9067 20. H 0.0006 0.0001 0.0004 0.0001 0.0002 0.0029 0.0072 0.0081 0.0028 21. S 0.0139 0.0219 0.0284 0.0084 0.0592 0.0333 0.0493 0.0062 0.0287 22. S 0.0030 0.0024 0.0060 0.0033 0.0117 0.0038 0.0095 0.0027 0.0029 23. S 0.0014 0.0018 0.0014 0.0019 0.0020 0.0010 0.0008 0.0004 0.0004 24. S 0.0061 0.0024 0.0026 0.0116 0.0042 0.0038 0.0035 0.0029 0.0025 25. S 0.0275 0.0244 0.0125 0.0607 0.0083 0.0344 0.0141 0.0288 0.0063 26. Mo 0.3903 0.4365 0.3810 0.2983 0.3162 0.4301 0.3223 0.3050 0.3080 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0121 0.8988 0.0028 0.0074 0.0087 0.0028 0.0001 0.0004 0.0006 2. C 0.0043 0.0025 0.9104 0.0024 0.0081 0.0080 0.0013 0.0001 0.0003 3. C 0.0160 0.0073 0.0028 0.8999 0.0028 0.0087 0.0001 0.0005 0.0001 4. C 0.0022 0.0078 0.0082 0.0034 0.8896 0.0030 0.0002 0.0002 0.0002 5. C 0.0222 0.0033 0.0083 0.0081 0.0030 0.8866 0.0002 0.0001 0.0001 6. C 1.2095 0.0005 0.0004 0.0005 0.0001 0.0001 0.8859 0.0029 0.0094 7. C 0.0158 0.0005 0.0001 0.0002 0.0001 0.0001 0.0028 0.8918 0.0033 8. C 0.0209 0.0004 0.0006 0.0001 0.0002 0.0000 0.0083 0.0028 0.9066 9. C 1.3254 0.0000 0.0006 0.0004 0.0000 0.0002 0.0083 0.0081 0.0024 10. C 0.0000 0.0002 0.0001 0.0006 0.0001 0.0001 0.0028 0.0072 0.0081 11. H 0.0002 0.0000 0.0014 0.0004 0.0004 0.0013 0.0000 0.0000 0.0000 12. H 0.0001 0.0014 0.0000 0.0014 0.0005 0.0005 0.0000 0.0000 0.0001 13. H 0.0006 0.0004 0.0014 0.0000 0.0013 0.0005 0.0000 0.0000 0.0000 14. H 0.0001 0.0004 0.0005 0.0013 0.0000 0.0013 0.0000 0.0000 0.0000 15. H 0.0001 0.0013 0.0005 0.0005 0.0013 0.0000 0.0000 0.0000 0.0000 16. H 0.0028 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0014 0.0006 17. H 0.0072 0.0000 0.0000 0.0000 0.0000 0.0000 0.0014 0.0000 0.0015 18. H 0.0081 0.0000 0.0001 0.0000 0.0000 0.0000 0.0006 0.0015 0.0000 19. H 0.0033 0.0000 0.0000 0.0000 0.0000 0.0000 0.0006 0.0005 0.0014 20. H 0.8921 0.0000 0.0000 0.0000 0.0000 0.0000 0.0014 0.0003 0.0005 21. S 0.0144 0.0004 0.0005 0.0009 0.0003 0.0032 0.0013 0.0036 0.0001 22. S 0.0035 0.0001 0.0004 0.0002 0.0004 0.0083 0.0005 0.0015 0.0000 23. S 0.0008 0.0001 0.0001 0.0001 0.0012 0.0014 0.0005 0.0001 0.0000 24. S 0.0093 0.0002 0.0004 0.0001 0.0063 0.0005 0.0005 0.0001 0.0002 25. S 0.0492 0.0010 0.0006 0.0003 0.0029 0.0004 0.0014 0.0001 0.0010 26. Mo 0.3213 0.0073 0.0052 0.0068 0.0043 0.0043 0.0050 0.0066 0.0046 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0001 0.0006 0.0139 0.0030 0.0014 0.0061 0.0275 0.3903 2. C 0.0003 0.0001 0.0219 0.0024 0.0018 0.0024 0.0244 0.4365 3. C 0.0006 0.0004 0.0284 0.0060 0.0014 0.0026 0.0125 0.3810 4. C 0.0001 0.0001 0.0084 0.0033 0.0019 0.0116 0.0607 0.2983 5. C 0.0002 0.0002 0.0592 0.0117 0.0020 0.0042 0.0083 0.3162 6. C 0.0094 0.0029 0.0333 0.0038 0.0010 0.0038 0.0344 0.4301 7. C 0.0081 0.0072 0.0493 0.0095 0.0008 0.0035 0.0141 0.3223 8. C 0.0024 0.0081 0.0062 0.0027 0.0004 0.0029 0.0288 0.3050 9. C 0.9067 0.0028 0.0287 0.0029 0.0004 0.0025 0.0063 0.3080 10. C 0.0033 0.8921 0.0144 0.0035 0.0008 0.0093 0.0492 0.3213 11. H 0.0000 0.0000 0.0004 0.0001 0.0001 0.0002 0.0010 0.0073 12. H 0.0000 0.0000 0.0005 0.0004 0.0001 0.0004 0.0006 0.0052 13. H 0.0000 0.0000 0.0009 0.0002 0.0001 0.0001 0.0003 0.0068 14. H 0.0000 0.0000 0.0003 0.0004 0.0012 0.0063 0.0029 0.0043 15. H 0.0000 0.0000 0.0032 0.0083 0.0014 0.0005 0.0004 0.0043 16. H 0.0006 0.0014 0.0013 0.0005 0.0005 0.0005 0.0014 0.0050 17. H 0.0005 0.0003 0.0036 0.0015 0.0001 0.0001 0.0001 0.0066 18. H 0.0014 0.0005 0.0001 0.0000 0.0000 0.0002 0.0010 0.0046 19. H 0.0000 0.0015 0.0010 0.0002 0.0000 0.0000 0.0001 0.0046 20. H 0.0015 0.0000 0.0001 0.0001 0.0001 0.0015 0.0034 0.0066 21. S 0.0010 0.0001 0.0000 1.0768 0.1133 0.0157 0.0300 0.6603 22. S 0.0002 0.0001 1.0768 0.0000 0.9996 0.0839 0.0156 0.0700 23. S 0.0000 0.0001 0.1133 0.9996 0.0000 1.0004 0.1135 0.0137 24. S 0.0000 0.0015 0.0157 0.0839 1.0004 0.0000 1.0763 0.0698 25. S 0.0001 0.0034 0.0300 0.0156 0.1135 1.0763 0.0000 0.6633 26. Mo 0.0046 0.0066 0.6603 0.0700 0.0137 0.0698 0.6633 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. C 3.9460 2. C 3.9522 3. C 3.9471 4. C 3.9370 5. C 3.9374 6. C 3.9384 7. C 3.9412 8. C 3.9521 9. C 3.9521 10. C 3.9414 11. H 0.9341 12. H 0.9453 13. H 0.9351 14. H 0.9318 15. H 0.9315 16. H 0.9232 17. H 0.9298 18. H 0.9412 19. H 0.9413 20. H 0.9300 21. S 2.1711 22. S 2.3062 23. S 2.2558 24. S 2.3049 25. S 2.1761 26. Mo 5.0415 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 1.1039 0.1387 0.1322 1.1188 0.1304 0.1253 0.1523 0.0805 2. C 1.1039 0.0000 1.1014 0.1232 0.1220 0.0887 0.0587 0.1648 0.1576 3. C 0.1387 1.1014 0.0000 1.1259 0.1327 0.1262 0.1093 0.0750 0.1579 4. C 0.1322 0.1232 1.1259 0.0000 1.1352 0.1131 0.1470 0.1080 0.0541 5. C 1.1188 0.1220 0.1327 1.1352 0.0000 0.1128 0.0547 0.0588 0.1072 6. C 0.1304 0.0887 0.1262 0.1131 0.1128 0.0000 1.0989 0.1355 0.1347 7. C 0.1253 0.0587 0.1093 0.1470 0.0547 1.0989 0.0000 1.1522 0.1438 8. C 0.1523 0.1648 0.0750 0.1080 0.0588 0.1355 1.1522 0.0000 1.1130 9. C 0.0805 0.1576 0.1579 0.0541 0.1072 0.1347 0.1438 1.1130 0.0000 10. C 0.1102 0.0653 0.1265 0.0466 0.1490 1.0998 0.1256 0.1444 1.1513 11. H 0.9481 0.0498 0.0856 0.0885 0.0577 0.0231 0.0232 0.0191 0.0068 12. H 0.0532 0.9541 0.0525 0.0904 0.0912 0.0196 0.0112 0.0235 0.0243 13. H 0.0860 0.0493 0.9486 0.0583 0.0903 0.0216 0.0125 0.0076 0.0191 14. H 0.0933 0.0902 0.0528 0.9432 0.0552 0.0108 0.0103 0.0125 0.0048 15. H 0.0532 0.0892 0.0932 0.0551 0.9416 0.0112 0.0083 0.0049 0.0138 16. H 0.0087 0.0354 0.0088 0.0145 0.0144 0.9412 0.0531 0.0912 0.0912 17. H 0.0197 0.0090 0.0231 0.0143 0.0093 0.0536 0.9443 0.0533 0.0902 18. H 0.0254 0.0177 0.0100 0.0151 0.0075 0.0970 0.0576 0.9522 0.0489 19. H 0.0096 0.0179 0.0247 0.0072 0.0157 0.0969 0.0899 0.0490 0.9522 20. H 0.0242 0.0092 0.0192 0.0086 0.0152 0.0536 0.0851 0.0900 0.0531 21. S 0.1177 0.1481 0.1685 0.0917 0.2432 0.1825 0.2220 0.0784 0.1693 22. S 0.0544 0.0490 0.0772 0.0572 0.1081 0.0615 0.0974 0.0518 0.0542 23. S 0.0369 0.0421 0.0372 0.0433 0.0447 0.0312 0.0291 0.0193 0.0188 24. S 0.0782 0.0491 0.0513 0.1078 0.0645 0.0618 0.0595 0.0539 0.0498 25. S 0.1658 0.1563 0.1119 0.2464 0.0912 0.1854 0.1189 0.1697 0.0792 26. Mo 0.6247 0.6606 0.6173 0.5462 0.5623 0.6558 0.5677 0.5523 0.5550 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.1102 0.9481 0.0532 0.0860 0.0933 0.0532 0.0087 0.0197 0.0254 2. C 0.0653 0.0498 0.9541 0.0493 0.0902 0.0892 0.0354 0.0090 0.0177 3. C 0.1265 0.0856 0.0525 0.9486 0.0528 0.0932 0.0088 0.0231 0.0100 4. C 0.0466 0.0885 0.0904 0.0583 0.9432 0.0551 0.0145 0.0143 0.0151 5. C 0.1490 0.0577 0.0912 0.0903 0.0552 0.9416 0.0144 0.0093 0.0075 6. C 1.0998 0.0231 0.0196 0.0216 0.0108 0.0112 0.9412 0.0536 0.0970 7. C 0.1256 0.0232 0.0112 0.0125 0.0103 0.0083 0.0531 0.9443 0.0576 8. C 0.1444 0.0191 0.0235 0.0076 0.0125 0.0049 0.0912 0.0533 0.9522 9. C 1.1513 0.0068 0.0243 0.0191 0.0048 0.0138 0.0912 0.0902 0.0489 10. C 0.0000 0.0140 0.0107 0.0235 0.0091 0.0106 0.0530 0.0851 0.0898 11. H 0.0140 0.0000 0.0379 0.0194 0.0210 0.0360 0.0036 0.0036 0.0038 12. H 0.0107 0.0379 0.0000 0.0377 0.0220 0.0222 0.0036 0.0029 0.0072 13. H 0.0235 0.0194 0.0377 0.0000 0.0367 0.0218 0.0036 0.0027 0.0014 14. H 0.0091 0.0210 0.0220 0.0367 0.0000 0.0365 0.0026 0.0026 0.0021 15. H 0.0106 0.0360 0.0222 0.0218 0.0365 0.0000 0.0028 0.0021 0.0018 16. H 0.0530 0.0036 0.0036 0.0036 0.0026 0.0028 0.0000 0.0369 0.0247 17. H 0.0851 0.0036 0.0029 0.0027 0.0026 0.0021 0.0369 0.0000 0.0389 18. H 0.0898 0.0038 0.0072 0.0014 0.0021 0.0018 0.0247 0.0389 0.0000 19. H 0.0575 0.0012 0.0066 0.0045 0.0016 0.0022 0.0248 0.0217 0.0370 20. H 0.9445 0.0031 0.0029 0.0033 0.0022 0.0029 0.0369 0.0178 0.0216 21. S 0.1200 0.0210 0.0229 0.0307 0.0161 0.0570 0.0366 0.0597 0.0085 22. S 0.0588 0.0086 0.0189 0.0148 0.0191 0.0909 0.0223 0.0393 0.0064 23. S 0.0281 0.0111 0.0084 0.0102 0.0354 0.0375 0.0220 0.0073 0.0052 24. S 0.0966 0.0142 0.0201 0.0081 0.0794 0.0233 0.0224 0.0114 0.0144 25. S 0.2218 0.0310 0.0248 0.0187 0.0542 0.0194 0.0370 0.0117 0.0320 26. Mo 0.5668 0.0852 0.0719 0.0826 0.0658 0.0659 0.0710 0.0811 0.0678 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0096 0.0242 0.1177 0.0544 0.0369 0.0782 0.1658 0.6247 2. C 0.0179 0.0092 0.1481 0.0490 0.0421 0.0491 0.1563 0.6606 3. C 0.0247 0.0192 0.1685 0.0772 0.0372 0.0513 0.1119 0.6173 4. C 0.0072 0.0086 0.0917 0.0572 0.0433 0.1078 0.2464 0.5462 5. C 0.0157 0.0152 0.2432 0.1081 0.0447 0.0645 0.0912 0.5623 6. C 0.0969 0.0536 0.1825 0.0615 0.0312 0.0618 0.1854 0.6558 7. C 0.0899 0.0851 0.2220 0.0974 0.0291 0.0595 0.1189 0.5677 8. C 0.0490 0.0900 0.0784 0.0518 0.0193 0.0539 0.1697 0.5523 9. C 0.9522 0.0531 0.1693 0.0542 0.0188 0.0498 0.0792 0.5550 10. C 0.0575 0.9445 0.1200 0.0588 0.0281 0.0966 0.2218 0.5668 11. H 0.0012 0.0031 0.0210 0.0086 0.0111 0.0142 0.0310 0.0852 12. H 0.0066 0.0029 0.0229 0.0189 0.0084 0.0201 0.0248 0.0719 13. H 0.0045 0.0033 0.0307 0.0148 0.0102 0.0081 0.0187 0.0826 14. H 0.0016 0.0022 0.0161 0.0191 0.0354 0.0794 0.0542 0.0658 15. H 0.0022 0.0029 0.0570 0.0909 0.0375 0.0233 0.0194 0.0659 16. H 0.0248 0.0369 0.0366 0.0223 0.0220 0.0224 0.0370 0.0710 17. H 0.0217 0.0178 0.0597 0.0393 0.0073 0.0114 0.0117 0.0811 18. H 0.0370 0.0216 0.0085 0.0064 0.0052 0.0144 0.0320 0.0678 19. H 0.0000 0.0389 0.0324 0.0147 0.0052 0.0065 0.0086 0.0678 20. H 0.0389 0.0000 0.0121 0.0115 0.0074 0.0384 0.0585 0.0815 21. S 0.0324 0.0121 0.0000 1.0377 0.3366 0.1252 0.1732 0.8126 22. S 0.0147 0.0115 1.0377 0.0000 0.9998 0.2896 0.1249 0.2647 23. S 0.0052 0.0074 0.3366 0.9998 0.0000 1.0002 0.3369 0.1170 24. S 0.0065 0.0384 0.1252 0.2896 1.0002 0.0000 1.0374 0.2642 25. S 0.0086 0.0585 0.1732 0.1249 0.3369 1.0374 0.0000 0.8144 26. Mo 0.0678 0.0815 0.8126 0.2647 0.1170 0.2642 0.8144 0.0000 NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 1.90 183.48810 8.51190 39 30 0 13 10 14 2 3 1.89 183.58850 8.41150 39 30 2 11 8 15 3 3 1.88 183.87325 8.12675 39 26 0 17 7 11 4 3 1.87 184.18297 7.81703 39 26 0 17 7 11 5 3 1.86 184.38510 7.61490 39 27 0 16 6 11 6 3 1.85 184.38510 7.61490 39 27 0 16 6 11 7 3 1.84 184.38510 7.61490 39 27 0 16 6 11 8 3 1.82 184.38444 7.61556 39 27 0 16 6 11 9 3 1.81 186.05595 5.94405 39 27 2 14 4 11 10 3 1.79 186.05595 5.94405 39 27 2 14 4 11 11 3 1.78 185.22829 6.77171 39 27 1 15 5 11 12 3 1.75 185.22829 6.77171 39 27 1 15 5 11 13 3 1.74 185.96513 6.03487 39 27 2 14 4 11 14 3 1.73 186.69302 5.30698 39 27 3 13 3 11 15 3 1.71 186.57469 5.42531 39 26 3 14 3 11 16 3 1.67 187.29299 4.70701 39 26 5 12 2 11 17 3 1.65 187.29299 4.70701 39 26 5 12 2 11 18 3 1.64 187.29299 4.70701 39 26 5 12 2 11 19 3 1.62 187.29299 4.70701 39 26 5 12 2 11 20 3 1.60 187.29299 4.70701 39 26 5 12 2 11 21 3 1.57 187.29299 4.70701 39 26 5 12 2 11 22 3 1.56 185.82605 6.17395 39 26 2 15 4 11 23 3 1.55 186.94573 5.05427 39 28 2 13 2 11 24 3 1.54 186.94573 5.05427 39 28 2 13 2 11 25 3 1.53 186.94573 5.05427 39 28 2 13 2 11 26 3 1.52 186.10709 5.89291 39 28 1 14 3 11 27 3 1.51 185.82876 6.17124 39 29 0 14 3 11 28 3 1.50 186.31508 5.68492 39 30 0 13 2 11 29 3 1.67 187.29299 4.70701 39 26 5 12 2 11 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Effective core 28.00000 Core 77.99896 ( 99.999% of 78) Valence Lewis 81.29403 ( 94.528% of 86) ================== ============================= Total Lewis 187.29299 ( 97.548% of 192) ----------------------------------------------------- Valence non-Lewis 4.33322 ( 2.257% of 192) Rydberg non-Lewis 0.37379 ( 0.195% of 192) ================== ============================= Total non-Lewis 4.70701 ( 2.452% of 192) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (1.99997) CR ( 1) C 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. (1.99997) CR ( 1) C 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. (1.99997) CR ( 1) C 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (1.99997) CR ( 1) C 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (1.99997) CR ( 1) C 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (1.99997) CR ( 1) C 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.99997) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (1.99997) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (1.99997) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.99997) CR ( 1) C 10 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. (2.00000) CR ( 1) S 21 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (2.00000) CR ( 2) S 21 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (2.00000) CR ( 3) S 21 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (1.99999) CR ( 4) S 21 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.99999) CR ( 5) S 21 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. (2.00000) CR ( 1) S 22 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (2.00000) CR ( 2) S 22 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.99999) CR ( 3) S 22 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. (1.99999) CR ( 4) S 22 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.99999) CR ( 5) S 22 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (2.00000) CR ( 1) S 23 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (2.00000) CR ( 2) S 23 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.99999) CR ( 3) S 23 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (1.99999) CR ( 4) S 23 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.99999) CR ( 5) S 23 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (2.00000) CR ( 1) S 24 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (2.00000) CR ( 2) S 24 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.99999) CR ( 3) S 24 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (1.99999) CR ( 4) S 24 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (1.99999) CR ( 5) S 24 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (2.00000) CR ( 1) S 25 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (2.00000) CR ( 2) S 25 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (2.00000) CR ( 3) S 25 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (1.99999) CR ( 4) S 25 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.99999) CR ( 5) S 25 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.99992) CR ( 1)Mo 26 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.99982) CR ( 2)Mo 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (1.99984) CR ( 3)Mo 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (1.99974) CR ( 4)Mo 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (0.90601) LP ( 1) C 4 s( 5.40%)p17.45( 94.15%)d 0.06( 0.34%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 0.2312 -0.0224 -0.0021 -0.0002 0.0001 0.0000 0.0833 -0.0258 -0.0022 -0.0024 0.2856 0.0260 -0.0026 0.0025 -0.9226 -0.0177 0.0063 0.0003 -0.0076 0.0016 0.0003 0.0347 0.0001 -0.0004 -0.0423 0.0030 -0.0003 -0.0144 -0.0003 0.0003 0.0125 -0.0028 0.0006 0.0203 0.0011 -0.0155 0.0002 -0.0013 -0.0020 -0.0010 -0.0010 0.0141 -0.0010 -0.0001 -0.0008 -0.0110 -0.0008 0.0007 0.0012 -0.0034 0.0053 0.0001 0.0047 0.0087 0.0046 -0.0032 41. (1.96877) LP ( 1) S 21 s( 73.55%)p 0.36( 26.41%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8576 -0.0038 -0.0003 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0918 0.0001 0.0000 0.0000 0.0000 0.0000 0.4145 -0.0036 0.0042 0.0013 0.0000 0.0000 -0.2894 0.0033 -0.0017 -0.0004 0.0000 0.0047 -0.0025 -0.0016 0.0001 -0.0047 -0.0017 -0.0008 0.0000 0.0122 -0.0055 -0.0001 0.0001 0.0018 -0.0082 -0.0012 0.0000 0.0070 0.0007 0.0014 0.0000 0.0025 0.0006 -0.0024 0.0005 0.0012 -0.0002 0.0006 -0.0004 0.0037 0.0003 0.0043 -0.0006 0.0004 0.0004 0.0001 0.0000 -0.0003 0.0000 0.0000 0.0000 0.0004 0.0000 0.0002 42. (1.88200) LP ( 2) S 21 s( 0.91%)p99.99( 98.89%)d 0.17( 0.15%) f 0.06( 0.05%)g 0.00( 0.00%) 0.0000 0.0000 0.0953 0.0008 -0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2819 0.0090 -0.0022 0.0005 0.0000 0.0000 0.3573 -0.0069 0.0019 0.0002 0.0000 0.0000 0.8840 -0.0148 0.0027 -0.0014 0.0000 0.0172 -0.0056 -0.0003 0.0000 0.0108 -0.0012 -0.0008 0.0000 -0.0098 0.0063 0.0005 -0.0002 -0.0015 -0.0025 -0.0004 0.0001 0.0281 -0.0118 -0.0005 0.0000 -0.0073 0.0004 0.0164 -0.0001 -0.0054 0.0003 0.0086 -0.0002 0.0069 -0.0003 -0.0037 0.0002 0.0041 0.0005 -0.0011 0.0006 0.0006 0.0013 -0.0001 0.0015 -0.0005 0.0002 0.0013 43. (1.99205) LP ( 1) S 22 s( 73.20%)p 0.37( 26.76%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8553 -0.0196 0.0003 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1593 -0.0002 0.0023 0.0015 0.0000 0.0000 0.0499 0.0000 0.0017 0.0012 0.0000 0.0000 0.4895 -0.0094 0.0016 0.0017 0.0001 0.0063 0.0034 0.0014 0.0001 -0.0110 0.0009 0.0008 -0.0001 -0.0106 -0.0006 -0.0006 -0.0001 -0.0091 -0.0010 -0.0010 -0.0001 -0.0056 0.0015 0.0016 0.0000 0.0018 -0.0012 0.0035 -0.0011 0.0031 0.0004 0.0020 0.0000 0.0019 -0.0012 -0.0026 0.0015 0.0005 -0.0004 0.0007 0.0003 -0.0005 -0.0003 0.0002 -0.0004 0.0001 -0.0002 0.0004 44. (1.88072) LP ( 2) S 22 s( 2.17%)p45.02( 97.63%)d 0.07( 0.16%) f 0.02( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1472 0.0056 0.0006 -0.0001 -0.0001 0.0000 0.0000 0.0000 0.3926 -0.0115 -0.0008 -0.0002 0.0000 0.0000 0.7785 -0.0264 0.0016 -0.0005 0.0000 0.0000 -0.4637 0.0161 -0.0013 0.0011 0.0000 -0.0151 0.0013 0.0018 -0.0001 -0.0106 0.0020 -0.0005 0.0000 -0.0211 0.0027 0.0005 0.0000 0.0084 -0.0010 -0.0001 0.0000 0.0262 -0.0016 -0.0017 0.0001 -0.0020 0.0001 -0.0005 0.0006 -0.0043 0.0006 -0.0092 0.0010 0.0115 -0.0018 0.0126 -0.0012 0.0036 -0.0008 -0.0016 -0.0006 0.0017 0.0020 -0.0016 -0.0017 -0.0006 -0.0025 -0.0020 45. (1.99540) LP ( 1) S 23 s( 75.83%)p 0.32( 24.14%)d 0.00( 0.03%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.8706 -0.0155 -0.0001 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1859 -0.0020 0.0008 0.0011 0.0000 0.0000 0.0909 0.0013 0.0004 0.0002 0.0000 0.0000 -0.4455 -0.0064 -0.0019 -0.0009 -0.0001 -0.0031 0.0002 0.0001 0.0000 0.0149 0.0007 -0.0004 0.0002 0.0009 -0.0014 -0.0007 -0.0001 0.0046 -0.0029 0.0009 0.0001 -0.0054 0.0019 0.0013 0.0001 -0.0004 0.0012 0.0045 -0.0004 0.0009 -0.0010 -0.0019 0.0010 -0.0025 0.0007 0.0036 -0.0020 0.0004 -0.0002 0.0005 0.0001 -0.0003 -0.0002 0.0000 -0.0001 0.0002 -0.0004 0.0001 46. (1.89588) LP ( 2) S 23 s( 2.21%)p44.12( 97.56%)d 0.09( 0.20%) f 0.01( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1487 0.0004 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.7812 0.0228 0.0009 -0.0004 0.0000 0.0000 -0.1292 -0.0043 -0.0007 0.0002 0.0000 0.0000 0.5896 0.0198 0.0032 -0.0008 0.0000 -0.0033 -0.0006 -0.0001 0.0000 0.0172 -0.0032 0.0004 0.0000 -0.0093 0.0008 0.0004 0.0000 -0.0191 -0.0018 0.0015 0.0000 0.0348 -0.0032 -0.0019 0.0000 0.0022 -0.0002 -0.0067 0.0009 0.0035 -0.0004 -0.0124 0.0014 0.0042 -0.0003 -0.0062 -0.0001 0.0035 -0.0004 -0.0013 -0.0009 0.0020 -0.0018 0.0006 -0.0002 0.0001 0.0024 0.0000 47. (1.99245) LP ( 1) S 24 s( 73.22%)p 0.37( 26.74%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8554 -0.0198 0.0003 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1502 0.0003 0.0024 0.0015 0.0000 0.0000 -0.2404 0.0036 -0.0022 -0.0017 0.0000 0.0000 0.4324 -0.0087 0.0009 0.0011 0.0001 -0.0017 -0.0034 -0.0017 0.0000 -0.0127 -0.0004 0.0001 -0.0002 0.0141 -0.0003 -0.0002 0.0001 -0.0036 -0.0009 -0.0010 -0.0001 0.0032 0.0017 0.0018 0.0001 -0.0019 -0.0010 0.0021 -0.0003 -0.0036 0.0008 -0.0010 0.0004 -0.0020 0.0008 -0.0037 0.0020 -0.0007 0.0003 0.0008 0.0002 -0.0003 -0.0003 0.0000 -0.0006 0.0002 -0.0001 -0.0001 48. (1.88126) LP ( 2) S 24 s( 2.13%)p45.78( 97.66%)d 0.07( 0.16%) f 0.02( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1459 0.0061 0.0006 -0.0001 -0.0001 0.0000 0.0000 0.0000 0.3996 -0.0116 -0.0009 -0.0002 0.0000 0.0000 -0.5377 0.0181 -0.0009 0.0000 0.0000 0.0000 -0.7258 0.0250 -0.0018 0.0011 0.0000 0.0178 -0.0020 -0.0014 0.0001 -0.0043 0.0013 -0.0010 0.0001 -0.0049 -0.0004 0.0006 0.0000 0.0119 -0.0018 -0.0001 0.0000 0.0326 -0.0029 -0.0017 0.0001 0.0045 -0.0007 -0.0091 0.0017 0.0078 -0.0009 -0.0054 0.0008 -0.0132 0.0014 0.0063 -0.0003 0.0003 0.0003 -0.0029 0.0012 0.0000 0.0016 0.0017 0.0010 0.0007 -0.0020 0.0023 49. (1.96919) LP ( 1) S 25 s( 73.74%)p 0.36( 26.22%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8587 -0.0037 -0.0003 -0.0005 0.0000 0.0000 0.0000 0.0000 -0.0904 0.0001 0.0000 0.0000 0.0000 0.0000 -0.2637 0.0019 -0.0031 -0.0011 0.0000 0.0000 -0.4295 0.0044 -0.0033 -0.0009 0.0000 -0.0022 0.0029 0.0017 -0.0001 -0.0061 -0.0007 -0.0001 -0.0001 -0.0135 0.0062 -0.0004 -0.0001 -0.0038 -0.0055 -0.0013 0.0000 -0.0031 0.0053 0.0012 0.0000 -0.0001 0.0006 -0.0046 0.0003 -0.0027 -0.0002 -0.0008 -0.0006 -0.0031 -0.0002 0.0024 -0.0007 -0.0003 -0.0001 0.0003 0.0000 0.0000 -0.0002 0.0000 -0.0001 -0.0003 -0.0002 -0.0002 50. (1.88014) LP ( 2) S 25 s( 0.72%)p99.99( 99.07%)d 0.21( 0.16%) f 0.07( 0.05%)g 0.00( 0.00%) 0.0000 0.0000 0.0850 0.0007 -0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2880 0.0093 -0.0023 0.0004 0.0000 0.0000 -0.6915 0.0124 -0.0028 0.0004 0.0000 0.0000 0.6552 -0.0106 0.0016 -0.0014 0.0000 -0.0198 0.0055 0.0006 0.0000 0.0024 0.0015 -0.0005 0.0000 -0.0118 0.0046 0.0002 0.0001 -0.0020 -0.0027 -0.0005 0.0001 0.0281 -0.0125 -0.0007 0.0001 -0.0013 0.0001 0.0094 0.0000 0.0038 -0.0003 0.0084 -0.0006 -0.0126 0.0002 -0.0092 0.0004 -0.0085 -0.0003 -0.0014 0.0001 0.0002 0.0010 -0.0010 0.0000 -0.0006 0.0001 -0.0018 51. (1.71479) LP ( 1)Mo 26 s( 0.02%)p 0.68( 0.01%)d99.99( 99.94%) f 0.74( 0.01%)g 0.67( 0.01%) 0.0000 0.0071 0.0085 0.0076 0.0023 0.0012 -0.0002 0.0000 -0.0088 0.0041 0.0036 -0.0036 0.0000 -0.0002 0.0002 0.0005 -0.0001 0.0000 0.0007 -0.0006 -0.0026 0.0004 -0.0012 0.0024 0.0013 0.0003 0.0619 -0.0164 -0.0048 -0.0013 0.3130 -0.0169 -0.0040 0.0005 -0.9092 0.0757 0.0080 -0.0010 -0.2540 -0.0016 0.0064 -0.0009 -0.0017 0.0021 0.0005 0.0065 -0.0028 0.0000 -0.0016 -0.0001 0.0000 0.0063 -0.0027 -0.0008 -0.0024 -0.0002 0.0001 -0.0007 0.0046 -0.0002 -0.0017 0.0005 0.0002 -0.0028 -0.0007 0.0004 -0.0002 0.0063 0.0010 -0.0058 -0.0006 -0.0001 0.0002 -0.0001 -0.0002 0.0046 0.0004 -0.0045 -0.0002 0.0003 0.0001 52. (1.96604) BD ( 1) C 1- C 2 ( 49.60%) 0.7043* C 1 s( 29.39%)p 2.39( 70.37%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5421 0.0051 0.0016 0.0001 0.0001 0.0000 -0.6124 0.0387 0.0039 -0.0019 -0.5718 -0.0069 -0.0031 -0.0016 0.0017 -0.0055 -0.0089 0.0008 0.0140 0.0134 0.0009 0.0146 0.0015 -0.0003 0.0211 -0.0014 -0.0004 -0.0190 0.0006 0.0010 -0.0170 -0.0062 0.0006 0.0034 0.0002 0.0060 0.0012 0.0088 0.0008 0.0050 -0.0003 -0.0153 -0.0004 0.0085 0.0021 -0.0062 -0.0002 0.0014 -0.0018 -0.0020 0.0004 -0.0005 -0.0021 0.0007 -0.0113 0.0001 ( 50.40%) 0.7099* C 2 s( 30.12%)p 2.31( 69.62%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5488 0.0061 0.0014 0.0001 0.0001 0.0000 0.3589 0.0174 0.0052 0.0013 0.6115 -0.0302 0.0001 0.0015 0.4383 -0.0096 -0.0076 0.0026 0.0260 0.0080 0.0004 0.0100 0.0055 -0.0001 0.0018 0.0078 0.0004 0.0106 -0.0061 -0.0011 -0.0300 -0.0009 0.0011 -0.0137 -0.0008 -0.0069 0.0007 -0.0037 -0.0006 -0.0027 0.0000 0.0039 0.0015 -0.0124 -0.0012 0.0059 0.0012 0.0017 -0.0017 -0.0010 -0.0015 0.0016 -0.0066 0.0008 -0.0066 -0.0060 53. (1.96140) BD ( 1) C 1- C 5 ( 50.27%) 0.7090* C 1 s( 30.16%)p 2.31( 69.61%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5492 0.0044 0.0010 0.0002 -0.0001 0.0000 0.7262 -0.0230 0.0030 0.0028 -0.2568 -0.0252 -0.0034 -0.0010 0.3181 -0.0177 -0.0072 0.0017 -0.0266 -0.0059 0.0002 -0.0055 0.0072 0.0003 0.0067 -0.0047 -0.0005 0.0063 0.0084 0.0013 -0.0263 -0.0039 0.0009 -0.0061 -0.0012 -0.0068 -0.0011 0.0109 -0.0001 0.0035 -0.0001 0.0011 -0.0009 0.0065 -0.0001 -0.0131 -0.0018 0.0021 -0.0020 -0.0008 -0.0012 -0.0005 0.0009 -0.0056 0.0027 -0.0098 ( 49.73%) 0.7052* C 5 s( 30.67%)p 2.25( 69.11%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5538 0.0035 0.0012 -0.0001 0.0003 0.0000 -0.7324 0.0012 -0.0015 -0.0023 0.3685 -0.0359 -0.0047 0.0007 0.1307 -0.0171 -0.0123 0.0010 -0.0064 -0.0100 -0.0015 0.0223 -0.0038 -0.0011 -0.0022 -0.0007 -0.0003 0.0226 0.0070 -0.0002 -0.0177 -0.0083 0.0008 0.0010 -0.0004 0.0135 0.0011 -0.0008 -0.0007 -0.0077 0.0004 0.0016 0.0004 -0.0024 -0.0013 0.0151 0.0016 0.0024 -0.0017 -0.0003 -0.0008 0.0019 -0.0025 0.0002 -0.0026 -0.0110 54. (1.98005) BD ( 1) C 1- H 11 ( 63.28%) 0.7955* C 1 s( 31.76%)p 2.14( 68.13%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5636 0.0034 -0.0011 -0.0003 -0.0001 0.0000 -0.2253 -0.0048 -0.0012 0.0010 0.7760 0.0111 0.0091 -0.0044 0.1675 -0.0050 -0.0008 -0.0006 -0.0027 -0.0061 -0.0002 0.0045 -0.0013 -0.0007 -0.0042 0.0050 -0.0007 -0.0049 -0.0107 -0.0002 -0.0078 -0.0071 0.0018 -0.0104 -0.0003 0.0053 0.0002 -0.0097 -0.0011 -0.0087 -0.0002 -0.0043 -0.0003 0.0128 0.0012 -0.0104 -0.0015 0.0019 -0.0002 -0.0023 0.0020 0.0005 0.0035 -0.0009 0.0043 0.0073 ( 36.72%) 0.6060* H 11 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0016 -0.0012 0.0000 -0.0094 -0.0004 -0.0004 0.0275 -0.0055 0.0010 0.0056 -0.0002 0.0000 -0.0064 -0.0013 -0.0014 -0.0001 0.0043 0.0011 -0.0100 -0.0020 -0.0051 -0.0015 0.0021 -0.0014 0.0047 0.0023 0.0011 -0.0045 0.0045 55. (1.96633) BD ( 1) C 2- C 3 ( 50.30%) 0.7092* C 2 s( 30.07%)p 2.32( 69.67%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5483 0.0060 0.0014 0.0001 0.0001 0.0000 0.3049 0.0199 0.0054 0.0012 -0.7649 0.0304 0.0026 -0.0025 0.1315 0.0034 -0.0069 0.0017 -0.0293 -0.0081 -0.0002 -0.0018 0.0015 -0.0003 0.0149 -0.0020 -0.0006 0.0092 -0.0098 -0.0014 -0.0250 -0.0049 0.0007 -0.0026 0.0002 -0.0048 0.0000 0.0146 0.0010 0.0026 -0.0001 0.0075 -0.0008 -0.0121 -0.0020 -0.0023 -0.0007 0.0019 -0.0005 -0.0010 0.0005 0.0029 0.0001 0.0038 -0.0027 0.0100 ( 49.70%) 0.7050* C 3 s( 29.56%)p 2.37( 70.20%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5437 0.0045 0.0014 0.0001 0.0001 0.0000 -0.5658 0.0391 0.0042 -0.0017 0.5671 0.0057 0.0062 0.0012 0.2421 -0.0028 -0.0068 0.0014 -0.0148 -0.0127 -0.0009 0.0071 -0.0037 -0.0007 0.0040 0.0052 -0.0005 -0.0251 0.0000 0.0009 -0.0236 -0.0036 0.0006 -0.0073 -0.0005 0.0116 0.0008 -0.0099 -0.0003 0.0012 -0.0008 0.0018 -0.0013 0.0142 0.0018 0.0016 0.0000 0.0017 -0.0003 -0.0021 0.0028 0.0021 0.0009 0.0048 -0.0091 0.0040 56. (1.98132) BD ( 1) C 2- H 12 ( 62.20%) 0.7887* C 2 s( 30.72%)p 2.25( 69.16%)d 0.00( 0.05%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5542 0.0045 -0.0018 -0.0001 -0.0002 0.0000 -0.8247 -0.0087 -0.0070 0.0042 0.0527 0.0025 0.0008 -0.0003 -0.0922 -0.0109 -0.0021 0.0008 -0.0031 -0.0017 0.0001 0.0149 0.0023 -0.0004 0.0003 -0.0001 -0.0006 0.0001 0.0142 0.0002 -0.0024 -0.0081 0.0015 0.0015 0.0004 0.0161 0.0009 0.0002 0.0000 -0.0043 -0.0007 -0.0008 0.0002 -0.0165 -0.0016 0.0031 0.0004 0.0020 -0.0019 -0.0007 -0.0021 0.0001 0.0018 -0.0023 0.0087 -0.0021 ( 37.80%) 0.6148* H 12 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0019 -0.0008 0.0000 -0.0306 0.0046 -0.0014 0.0026 0.0003 0.0001 -0.0072 -0.0028 -0.0005 -0.0015 -0.0004 0.0025 0.0006 -0.0006 0.0001 0.0115 0.0027 -0.0053 -0.0019 -0.0020 -0.0049 0.0003 0.0027 -0.0002 0.0062 -0.0015 57. (1.96366) BD ( 1) C 3- C 4 ( 50.37%) 0.7097* C 3 s( 30.56%)p 2.26( 69.21%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5528 0.0047 0.0009 0.0003 -0.0001 0.0000 0.7361 -0.0209 0.0035 0.0029 0.0416 0.0323 0.0057 0.0001 0.3832 -0.0056 -0.0050 0.0018 0.0249 0.0006 -0.0005 0.0065 0.0091 0.0000 0.0093 0.0018 -0.0008 0.0114 0.0105 0.0011 -0.0248 -0.0013 0.0008 -0.0135 -0.0006 -0.0078 -0.0003 -0.0016 0.0008 0.0051 0.0013 -0.0006 0.0011 0.0091 0.0009 0.0091 0.0013 0.0012 -0.0021 -0.0024 0.0012 -0.0014 0.0067 0.0007 0.0075 0.0054 ( 49.63%) 0.7045* C 4 s( 30.96%)p 2.22( 68.81%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5564 0.0035 0.0014 -0.0001 0.0003 0.0000 -0.7612 0.0048 -0.0010 -0.0025 -0.3258 0.0401 0.0092 -0.0008 -0.0291 -0.0004 -0.0090 0.0005 -0.0069 0.0095 0.0018 0.0226 0.0005 -0.0004 0.0022 0.0033 -0.0003 0.0236 0.0092 0.0002 -0.0161 -0.0065 0.0009 0.0042 0.0003 0.0111 0.0008 0.0048 0.0005 -0.0128 0.0000 -0.0055 -0.0003 -0.0076 -0.0019 -0.0085 -0.0013 0.0014 -0.0025 -0.0015 -0.0010 -0.0002 0.0040 0.0009 0.0017 0.0108 58. (1.97999) BD ( 1) C 3- H 13 ( 63.17%) 0.7948* C 3 s( 31.68%)p 2.15( 68.21%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5629 0.0033 -0.0011 -0.0003 0.0000 0.0000 -0.2892 -0.0055 -0.0018 0.0014 -0.7534 -0.0075 -0.0078 0.0042 -0.1751 -0.0091 -0.0044 0.0013 0.0010 0.0078 0.0005 0.0062 0.0017 -0.0006 0.0095 0.0052 -0.0006 -0.0016 -0.0094 -0.0002 -0.0024 -0.0069 0.0018 0.0048 0.0007 0.0056 0.0002 0.0135 0.0004 0.0059 0.0011 -0.0074 -0.0006 0.0144 0.0014 0.0075 0.0008 0.0014 -0.0012 -0.0025 0.0005 -0.0006 -0.0029 -0.0026 0.0008 -0.0086 ( 36.83%) 0.6069* H 13 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0015 -0.0014 0.0000 -0.0118 0.0001 -0.0005 -0.0265 0.0052 -0.0009 -0.0067 0.0019 -0.0004 0.0079 0.0015 0.0018 0.0005 0.0042 0.0010 -0.0088 -0.0018 -0.0051 -0.0015 -0.0031 -0.0012 -0.0035 -0.0031 0.0028 -0.0051 -0.0030 59. (1.97407) BD ( 1) C 4- C 5 ( 50.02%) 0.7073* C 4 s( 31.51%)p 2.17( 68.27%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5614 -0.0009 0.0012 -0.0003 0.0005 0.0000 0.0831 -0.0323 -0.0046 0.0000 0.7302 -0.0076 0.0035 0.0028 0.3755 -0.0199 -0.0090 0.0014 -0.0123 0.0034 0.0014 0.0012 -0.0003 -0.0004 -0.0002 0.0109 0.0004 -0.0250 -0.0090 -0.0008 -0.0238 -0.0040 0.0013 -0.0095 -0.0010 0.0055 -0.0007 -0.0086 -0.0005 -0.0058 -0.0011 0.0029 -0.0005 -0.0033 0.0003 -0.0143 -0.0017 0.0023 -0.0011 -0.0020 -0.0008 -0.0003 -0.0007 -0.0063 0.0091 -0.0044 ( 49.98%) 0.7069* C 5 s( 31.36%)p 2.18( 68.42%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5600 -0.0003 0.0013 -0.0003 0.0005 0.0000 0.0157 -0.0309 -0.0049 -0.0002 -0.8249 0.0185 0.0010 -0.0031 0.0435 -0.0151 -0.0094 0.0001 0.0144 -0.0008 -0.0009 0.0078 -0.0015 -0.0010 0.0243 -0.0008 -0.0007 -0.0168 -0.0126 -0.0012 -0.0141 -0.0089 0.0008 0.0024 0.0001 0.0041 -0.0003 0.0109 0.0012 0.0092 0.0006 -0.0053 0.0005 -0.0015 0.0011 0.0139 0.0016 0.0021 -0.0007 -0.0025 0.0013 0.0001 0.0018 -0.0012 0.0115 0.0001 60. (1.98041) BD ( 1) C 4- H 14 ( 63.92%) 0.7995* C 4 s( 31.86%)p 2.14( 68.04%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5644 0.0049 -0.0015 0.0003 -0.0006 0.0000 0.6355 0.0124 0.0064 -0.0034 -0.5243 -0.0068 -0.0053 0.0027 0.0355 -0.0052 -0.0021 0.0000 -0.0042 -0.0124 -0.0003 -0.0050 0.0015 -0.0008 0.0073 -0.0004 -0.0008 0.0039 0.0025 0.0001 -0.0074 -0.0082 0.0018 -0.0041 0.0002 -0.0109 -0.0008 0.0109 0.0007 0.0020 -0.0003 -0.0036 0.0004 -0.0084 -0.0007 -0.0143 -0.0018 0.0022 -0.0006 -0.0007 -0.0009 0.0030 -0.0026 0.0010 -0.0086 -0.0039 ( 36.08%) 0.6007* H 14 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0040 -0.0005 0.0002 0.0223 -0.0060 -0.0002 -0.0188 0.0031 0.0004 0.0013 0.0012 0.0000 -0.0115 -0.0024 0.0004 0.0002 -0.0009 0.0000 0.0019 0.0005 -0.0054 -0.0017 -0.0001 0.0046 -0.0036 -0.0003 -0.0002 0.0028 0.0062 61. (1.98002) BD ( 1) C 5- H 15 ( 64.06%) 0.8004* C 5 s( 31.91%)p 2.13( 67.98%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5649 0.0049 -0.0014 0.0004 -0.0006 0.0000 0.6751 0.0133 0.0071 -0.0035 0.4087 0.0070 0.0054 -0.0021 0.2381 -0.0028 0.0006 -0.0012 0.0052 0.0102 0.0005 -0.0037 0.0067 -0.0007 -0.0017 0.0040 -0.0006 0.0028 0.0056 0.0002 -0.0104 -0.0066 0.0018 -0.0122 -0.0005 -0.0059 -0.0008 -0.0032 -0.0004 0.0059 0.0003 0.0114 0.0005 -0.0005 -0.0003 0.0139 0.0019 0.0016 -0.0020 -0.0016 0.0000 -0.0002 0.0003 0.0044 -0.0053 0.0074 ( 35.94%) 0.5995* H 15 s( 99.89%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0046 -0.0005 0.0003 0.0234 -0.0067 -0.0002 0.0144 -0.0030 -0.0005 0.0084 0.0001 -0.0003 0.0097 0.0021 0.0055 0.0013 0.0029 0.0008 0.0045 0.0012 -0.0039 -0.0014 0.0031 0.0036 0.0022 -0.0018 -0.0034 0.0002 -0.0062 62. (1.96211) BD ( 1) C 6- C 7 ( 49.78%) 0.7056* C 6 s( 29.50%)p 2.38( 70.27%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5431 0.0041 0.0019 0.0003 -0.0001 0.0000 -0.4443 -0.0085 0.0001 -0.0020 0.6927 -0.0352 -0.0029 0.0026 0.1546 0.0135 0.0100 0.0002 -0.0094 -0.0117 -0.0010 -0.0270 -0.0035 0.0011 0.0239 0.0074 0.0001 0.0057 -0.0050 -0.0009 0.0018 -0.0068 -0.0001 -0.0075 -0.0006 0.0024 0.0004 0.0032 -0.0008 -0.0002 -0.0007 -0.0155 -0.0016 0.0104 0.0008 -0.0034 0.0013 -0.0010 0.0022 -0.0018 -0.0009 -0.0004 0.0057 -0.0029 -0.0070 0.0063 ( 50.22%) 0.7086* C 7 s( 30.12%)p 2.31( 69.66%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5488 -0.0001 0.0017 0.0002 -0.0001 0.0000 0.3434 -0.0232 0.0024 0.0002 -0.4760 -0.0159 -0.0058 -0.0012 -0.5922 0.0227 0.0082 -0.0023 -0.0166 -0.0047 -0.0009 -0.0098 -0.0057 0.0001 0.0153 0.0101 0.0003 -0.0195 0.0000 0.0011 -0.0226 0.0033 0.0015 0.0090 0.0013 0.0073 0.0001 0.0029 -0.0012 0.0062 0.0010 0.0112 0.0011 -0.0099 -0.0011 -0.0042 0.0001 -0.0003 0.0029 0.0013 -0.0026 -0.0049 0.0080 0.0017 -0.0060 0.0016 63. (1.96190) BD ( 1) C 6- C 10 ( 49.77%) 0.7055* C 6 s( 29.51%)p 2.38( 70.26%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5432 0.0041 0.0019 0.0002 -0.0001 0.0000 -0.4571 -0.0078 0.0001 -0.0021 -0.6873 0.0267 -0.0014 -0.0024 -0.1403 0.0267 0.0103 -0.0009 0.0197 0.0123 0.0004 -0.0212 0.0016 0.0014 -0.0189 0.0013 0.0003 -0.0034 -0.0059 -0.0008 -0.0149 -0.0092 0.0000 -0.0067 0.0006 0.0094 0.0012 0.0043 0.0013 0.0022 -0.0005 0.0041 0.0005 0.0159 0.0013 0.0023 -0.0010 0.0011 0.0004 0.0001 0.0039 -0.0035 0.0000 0.0051 -0.0049 -0.0077 ( 50.23%) 0.7087* C 10 s( 30.11%)p 2.31( 69.67%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5487 0.0000 0.0017 0.0002 -0.0001 0.0000 0.3535 -0.0230 0.0025 0.0003 0.6703 0.0056 0.0019 0.0020 -0.3478 0.0273 0.0099 -0.0017 0.0199 0.0068 0.0008 -0.0020 -0.0034 0.0004 0.0117 -0.0088 -0.0016 -0.0196 -0.0041 0.0007 -0.0240 -0.0040 0.0008 0.0004 0.0014 0.0006 -0.0004 -0.0117 -0.0011 0.0020 0.0008 -0.0074 -0.0003 -0.0148 -0.0015 0.0025 -0.0006 0.0000 0.0030 0.0016 -0.0015 -0.0043 0.0059 0.0035 -0.0057 -0.0058 64. (1.97713) BD ( 1) C 6- H 16 ( 64.34%) 0.8021* C 6 s( 31.81%)p 2.14( 68.08%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5640 0.0027 -0.0010 -0.0005 0.0002 0.0000 0.6729 0.0161 0.0083 -0.0035 0.0938 0.0000 0.0002 -0.0004 -0.4679 -0.0009 -0.0014 0.0019 -0.0003 0.0027 -0.0003 0.0005 -0.0134 0.0014 0.0022 -0.0010 -0.0007 0.0068 0.0088 0.0009 -0.0097 -0.0021 0.0013 0.0106 0.0009 0.0110 0.0000 -0.0006 0.0001 -0.0148 -0.0015 -0.0057 -0.0004 0.0077 0.0015 0.0037 0.0004 -0.0013 0.0020 -0.0013 0.0038 0.0016 -0.0058 -0.0033 0.0055 0.0016 ( 35.66%) 0.5972* H 16 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0024 -0.0004 0.0000 0.0247 -0.0058 0.0003 0.0031 -0.0002 0.0000 -0.0153 0.0012 0.0001 0.0021 0.0006 -0.0105 -0.0029 -0.0020 -0.0002 0.0081 0.0017 0.0007 -0.0003 -0.0043 -0.0012 0.0000 0.0064 0.0014 -0.0041 -0.0016 65. (1.96936) BD ( 1) C 7- C 8 ( 49.40%) 0.7029* C 7 s( 30.69%)p 2.25( 69.06%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5539 0.0079 0.0014 0.0002 0.0001 0.0000 -0.7729 0.0296 0.0026 -0.0028 -0.2007 -0.0271 -0.0067 -0.0012 0.2258 -0.0146 0.0059 0.0005 0.0253 0.0057 -0.0004 -0.0244 -0.0062 0.0003 -0.0142 -0.0002 -0.0002 -0.0070 0.0115 0.0016 -0.0098 -0.0033 0.0005 -0.0093 -0.0009 0.0041 0.0004 -0.0030 0.0001 0.0130 0.0003 0.0124 0.0005 0.0008 -0.0001 -0.0073 -0.0023 -0.0014 0.0033 0.0002 0.0002 0.0018 -0.0002 -0.0082 0.0040 0.0071 ( 50.60%) 0.7113* C 8 s( 32.21%)p 2.10( 67.54%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5675 0.0058 0.0012 0.0001 -0.0001 0.0000 0.4720 0.0002 0.0074 0.0018 0.4531 -0.0391 -0.0034 0.0015 -0.4957 0.0003 0.0046 -0.0022 0.0079 0.0103 0.0005 -0.0285 -0.0078 0.0013 0.0030 -0.0068 -0.0013 0.0214 0.0002 -0.0001 -0.0141 0.0016 0.0005 0.0140 0.0000 0.0032 0.0007 -0.0036 0.0004 -0.0037 -0.0012 -0.0128 -0.0018 0.0023 0.0003 0.0102 0.0010 -0.0033 0.0044 -0.0014 -0.0022 0.0028 0.0034 -0.0075 -0.0028 0.0054 66. (1.97775) BD ( 1) C 7- H 17 ( 63.70%) 0.7981* C 7 s( 31.93%)p 2.13( 67.96%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5650 0.0038 -0.0020 -0.0003 0.0001 0.0000 0.1948 0.0053 0.0042 -0.0012 0.8009 0.0110 0.0058 -0.0040 -0.0070 0.0073 0.0020 -0.0005 0.0068 0.0056 -0.0003 -0.0009 -0.0009 0.0017 0.0094 -0.0002 -0.0006 -0.0028 -0.0115 0.0003 -0.0061 -0.0075 0.0010 0.0009 -0.0002 -0.0014 -0.0003 -0.0152 -0.0011 0.0013 -0.0001 -0.0031 0.0004 -0.0107 -0.0015 -0.0143 -0.0010 0.0016 -0.0003 -0.0003 0.0047 -0.0027 -0.0030 0.0023 0.0042 -0.0062 ( 36.30%) 0.6025* H 17 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0026 0.0003 0.0002 0.0057 -0.0027 -0.0001 0.0296 -0.0045 0.0006 0.0009 0.0000 0.0000 0.0049 0.0010 0.0008 -0.0002 -0.0004 0.0001 -0.0103 -0.0021 -0.0059 -0.0015 0.0006 0.0014 0.0053 0.0008 0.0001 0.0049 0.0047 67. (1.97329) BD ( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 31.12%)p 2.21( 68.66%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0029 0.0010 0.0003 -0.0001 0.0000 -0.1974 0.0340 0.0073 -0.0005 -0.7643 0.0172 -0.0033 -0.0020 -0.2487 -0.0078 0.0035 -0.0015 -0.0155 0.0062 0.0010 -0.0136 0.0016 0.0017 0.0118 0.0051 -0.0001 -0.0239 -0.0107 -0.0003 -0.0178 -0.0027 -0.0001 0.0069 0.0003 0.0067 -0.0004 0.0123 0.0002 0.0075 0.0016 -0.0003 -0.0003 0.0006 0.0001 0.0131 0.0014 -0.0004 -0.0003 -0.0041 0.0056 0.0020 -0.0055 -0.0024 0.0072 -0.0021 ( 50.00%) 0.7071* C 9 s( 31.12%)p 2.21( 68.65%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0030 0.0010 0.0003 -0.0002 0.0000 -0.1832 0.0337 0.0073 -0.0004 0.8026 -0.0132 0.0014 0.0025 0.0847 -0.0143 0.0045 -0.0005 0.0207 -0.0059 -0.0016 -0.0060 -0.0010 0.0011 0.0125 0.0023 0.0003 -0.0231 -0.0115 -0.0003 -0.0175 -0.0039 0.0001 -0.0075 -0.0004 0.0052 -0.0002 -0.0114 -0.0008 -0.0089 0.0003 -0.0037 0.0004 -0.0012 0.0002 -0.0126 -0.0020 0.0006 -0.0002 -0.0026 0.0047 0.0020 -0.0035 -0.0065 0.0061 0.0045 68. (1.98051) BD ( 1) C 8- H 18 ( 62.55%) 0.7909* C 8 s( 31.01%)p 2.22( 68.87%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5569 0.0024 -0.0015 -0.0003 0.0001 0.0000 -0.5563 -0.0048 -0.0032 0.0026 0.3968 0.0028 0.0033 -0.0019 0.4707 0.0129 0.0054 -0.0026 0.0031 -0.0094 -0.0004 -0.0103 -0.0101 0.0015 0.0069 0.0070 -0.0003 -0.0029 0.0025 0.0008 0.0077 -0.0014 0.0011 -0.0114 -0.0003 -0.0039 -0.0006 0.0023 0.0007 0.0075 0.0004 -0.0161 -0.0017 0.0030 0.0002 0.0083 0.0009 -0.0015 0.0009 0.0008 0.0011 -0.0052 0.0028 0.0059 -0.0040 -0.0043 ( 37.45%) 0.6120* H 18 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0016 -0.0010 0.0000 -0.0195 0.0033 -0.0006 0.0131 -0.0039 0.0003 0.0203 -0.0007 0.0008 -0.0080 -0.0015 -0.0079 -0.0020 0.0058 0.0014 0.0029 0.0004 0.0005 -0.0002 0.0034 0.0028 -0.0019 -0.0019 0.0062 -0.0012 -0.0029 69. (1.96927) BD ( 1) C 9- C 10 ( 50.60%) 0.7113* C 9 s( 32.17%)p 2.10( 67.59%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5671 0.0058 0.0012 0.0000 -0.0001 0.0000 0.4642 0.0010 0.0074 0.0017 -0.2202 0.0355 0.0011 -0.0005 -0.6406 0.0161 0.0056 -0.0026 0.0036 -0.0062 -0.0010 -0.0295 -0.0112 0.0010 -0.0005 0.0036 0.0006 0.0205 0.0022 0.0003 -0.0155 0.0057 0.0012 0.0118 0.0001 0.0097 0.0016 -0.0067 0.0006 -0.0093 -0.0014 0.0059 0.0007 0.0069 0.0010 -0.0074 -0.0003 0.0002 0.0001 0.0018 0.0060 -0.0053 -0.0033 0.0063 0.0014 -0.0054 ( 49.40%) 0.7029* C 10 s( 30.65%)p 2.25( 69.11%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5536 0.0079 0.0014 0.0002 0.0001 0.0000 -0.7705 0.0301 0.0027 -0.0028 0.1047 0.0301 0.0036 0.0010 0.2907 -0.0023 0.0081 0.0009 -0.0131 -0.0031 0.0002 -0.0322 -0.0081 0.0004 0.0190 -0.0019 -0.0008 -0.0004 0.0109 0.0015 0.0032 -0.0040 0.0003 -0.0067 -0.0008 -0.0044 0.0000 0.0012 0.0002 0.0160 0.0015 -0.0116 -0.0006 -0.0055 -0.0003 -0.0003 0.0018 -0.0016 0.0013 -0.0008 0.0045 -0.0016 -0.0056 0.0027 0.0070 -0.0058 70. (1.98053) BD ( 1) C 9- H 19 ( 62.54%) 0.7908* C 9 s( 31.00%)p 2.22( 68.89%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5567 0.0024 -0.0015 -0.0003 0.0001 0.0000 -0.5649 -0.0048 -0.0033 0.0026 -0.5443 -0.0077 -0.0052 0.0027 0.2708 0.0108 0.0036 -0.0016 0.0015 0.0126 -0.0002 -0.0108 -0.0055 0.0015 -0.0083 -0.0047 -0.0008 -0.0064 0.0003 0.0007 0.0020 -0.0060 0.0009 -0.0096 -0.0008 0.0059 0.0005 0.0056 0.0000 0.0039 -0.0003 0.0116 0.0014 0.0100 0.0010 -0.0115 -0.0009 -0.0009 0.0031 0.0020 -0.0019 -0.0010 0.0064 -0.0024 -0.0064 0.0017 ( 37.46%) 0.6120* H 19 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0016 -0.0010 0.0000 -0.0196 0.0036 -0.0006 -0.0199 0.0037 -0.0006 0.0135 0.0009 0.0007 0.0104 0.0023 -0.0040 -0.0013 -0.0052 -0.0010 0.0008 -0.0001 -0.0038 -0.0011 0.0037 -0.0012 -0.0015 -0.0002 -0.0053 -0.0041 0.0035 71. (1.97786) BD ( 1) C 10- H 20 ( 63.68%) 0.7980* C 10 s( 31.91%)p 2.13( 67.98%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5649 0.0038 -0.0020 -0.0003 0.0001 0.0000 0.1800 0.0052 0.0041 -0.0011 -0.7314 -0.0131 -0.0062 0.0039 -0.3349 0.0021 -0.0006 0.0012 -0.0057 -0.0043 -0.0004 -0.0036 -0.0029 0.0017 -0.0013 0.0093 -0.0004 -0.0053 -0.0096 0.0003 -0.0102 -0.0038 0.0011 0.0114 0.0007 0.0025 -0.0002 0.0016 0.0004 0.0149 0.0010 0.0072 0.0005 -0.0071 -0.0014 0.0101 0.0008 -0.0010 0.0021 -0.0029 -0.0007 0.0018 0.0027 -0.0062 0.0019 0.0060 ( 36.32%) 0.6026* H 20 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0026 0.0003 0.0002 0.0053 -0.0025 -0.0001 -0.0274 0.0041 -0.0006 -0.0113 0.0019 -0.0003 -0.0044 -0.0008 -0.0011 -0.0006 0.0080 0.0017 -0.0086 -0.0018 -0.0027 -0.0009 -0.0039 0.0002 -0.0019 -0.0044 -0.0029 0.0038 -0.0039 72. (1.98361) BD ( 1) S 21- S 22 ( 47.49%) 0.6891* S 21 s( 11.26%)p 7.78( 87.63%)d 0.09( 0.96%) f 0.01( 0.15%)g 0.00( 0.01%) 0.0000 0.0000 0.3312 0.0538 0.0008 0.0006 0.0000 0.0000 0.0000 0.0000 0.8307 0.0581 0.0015 0.0021 0.0000 0.0000 -0.2631 0.0125 0.0036 -0.0019 0.0000 0.0000 0.3365 0.0125 -0.0011 0.0012 0.0000 -0.0496 0.0076 -0.0005 0.0000 0.0483 0.0069 -0.0003 0.0002 -0.0224 0.0068 0.0001 -0.0001 0.0510 0.0228 -0.0004 0.0001 -0.0325 -0.0005 -0.0004 0.0000 -0.0182 -0.0012 -0.0110 -0.0010 0.0020 0.0002 0.0215 0.0013 -0.0076 -0.0017 0.0200 0.0013 -0.0081 -0.0037 -0.0004 -0.0047 0.0013 -0.0004 0.0012 0.0040 -0.0033 0.0037 -0.0045 ( 52.51%) 0.7246* S 22 s( 14.36%)p 5.85( 83.99%)d 0.10( 1.50%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 0.3763 0.0445 -0.0032 0.0002 0.0003 0.0000 0.0000 0.0000 -0.8176 -0.0403 0.0003 0.0013 -0.0001 0.0000 0.1053 0.0282 0.0053 -0.0001 0.0001 0.0000 -0.3975 -0.0011 0.0028 0.0011 0.0000 -0.0102 -0.0022 0.0010 -0.0002 0.0812 -0.0007 -0.0029 0.0002 -0.0070 -0.0043 0.0002 0.0000 0.0861 -0.0014 -0.0020 0.0003 -0.0288 0.0006 -0.0001 -0.0001 0.0149 -0.0005 0.0073 -0.0005 -0.0050 0.0009 -0.0212 0.0000 0.0040 -0.0004 -0.0191 0.0003 0.0143 -0.0010 -0.0005 -0.0065 0.0016 -0.0004 0.0006 0.0053 -0.0039 0.0052 -0.0042 73. (1.95330) BD ( 1) S 21-Mo 26 ( 62.89%) 0.7931* S 21 s( 14.49%)p 5.87( 85.00%)d 0.03( 0.45%) f 0.00( 0.06%)g 0.00( 0.00%) 0.0000 0.0000 0.3802 -0.0182 0.0022 0.0009 -0.0001 0.0000 0.0000 0.0000 -0.4521 -0.0076 0.0063 0.0002 0.0000 0.0000 -0.7920 0.0036 0.0042 0.0013 0.0000 0.0000 0.1349 -0.0049 -0.0002 -0.0005 0.0000 0.0461 -0.0122 0.0002 0.0001 -0.0090 -0.0020 -0.0004 0.0000 -0.0172 0.0094 0.0007 -0.0001 -0.0286 0.0053 0.0005 0.0000 -0.0277 0.0100 0.0001 -0.0001 -0.0017 0.0001 0.0109 -0.0002 0.0086 0.0003 -0.0062 -0.0001 -0.0058 0.0010 0.0048 0.0009 -0.0182 0.0019 0.0014 0.0005 0.0007 0.0004 -0.0021 0.0002 -0.0005 -0.0037 -0.0012 ( 37.11%) 0.6091*Mo 26 s( 7.83%)p 0.01( 0.09%)d11.74( 91.96%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 0.2790 0.0211 -0.0039 -0.0010 -0.0010 0.0000 0.0000 0.0132 0.0189 0.0027 0.0003 0.0000 -0.0007 0.0184 0.0010 -0.0021 0.0000 0.0007 -0.0023 0.0002 0.0002 0.7200 0.0218 0.0125 0.0029 -0.0968 -0.0078 -0.0055 0.0008 0.0120 0.0110 -0.0032 -0.0004 0.1679 0.0195 -0.0053 0.0014 -0.5982 -0.0659 0.0017 -0.0027 -0.0055 0.0014 0.0001 -0.0062 -0.0030 -0.0008 -0.0154 -0.0002 -0.0009 0.0021 0.0004 -0.0008 -0.0014 0.0012 -0.0001 -0.0207 -0.0032 0.0009 0.0086 0.0038 -0.0014 -0.0031 0.0004 -0.0025 0.0006 0.0056 -0.0003 -0.0006 -0.0003 -0.0019 0.0001 0.0060 -0.0007 0.0041 -0.0006 -0.0149 0.0012 0.0012 0.0006 74. (1.98702) BD ( 1) S 22- S 23 ( 49.61%) 0.7044* S 22 s( 10.57%)p 8.32( 88.01%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3219 0.0461 0.0032 0.0002 -0.0001 0.0000 0.0000 0.0000 0.3596 0.0435 0.0036 0.0005 0.0001 0.0000 -0.6079 -0.0285 0.0010 -0.0013 0.0001 0.0000 -0.6150 -0.0138 0.0027 -0.0007 0.0001 -0.0415 -0.0048 -0.0005 0.0001 -0.0428 -0.0071 0.0005 0.0000 0.0883 0.0017 -0.0010 0.0001 -0.0373 -0.0006 0.0002 -0.0001 0.0131 0.0010 -0.0015 0.0001 0.0133 -0.0005 0.0021 0.0009 -0.0118 0.0000 0.0111 0.0006 0.0214 -0.0001 -0.0107 -0.0002 -0.0068 0.0009 -0.0054 0.0021 -0.0020 -0.0013 -0.0056 0.0060 0.0019 -0.0023 0.0038 ( 50.39%) 0.7098* S 23 s( 11.09%)p 7.89( 87.55%)d 0.11( 1.26%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3306 0.0401 0.0011 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4108 0.0040 0.0046 -0.0001 0.0001 0.0000 0.5940 -0.0441 0.0032 0.0005 0.0000 0.0000 0.5930 -0.0148 -0.0031 0.0000 -0.0001 -0.0574 0.0032 0.0005 0.0000 -0.0624 0.0030 0.0012 -0.0002 0.0719 0.0039 -0.0012 0.0002 -0.0083 0.0021 -0.0007 0.0000 0.0091 0.0012 -0.0015 0.0001 -0.0147 0.0010 -0.0094 0.0006 0.0075 -0.0003 -0.0079 0.0004 -0.0209 0.0000 0.0098 -0.0001 -0.0011 0.0007 -0.0049 0.0012 -0.0021 -0.0026 -0.0042 0.0058 0.0004 -0.0021 0.0033 75. (1.98712) BD ( 1) S 23- S 24 ( 50.31%) 0.7093* S 23 s( 11.09%)p 7.89( 87.54%)d 0.11( 1.26%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3307 0.0402 0.0011 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4227 0.0048 0.0046 -0.0001 0.0001 0.0000 -0.7740 0.0463 -0.0018 -0.0004 0.0000 0.0000 0.3089 0.0041 -0.0042 -0.0002 -0.0001 0.0785 -0.0018 -0.0009 0.0001 -0.0353 0.0039 0.0010 -0.0002 -0.0514 -0.0027 0.0019 -0.0002 -0.0327 0.0034 0.0000 -0.0001 -0.0373 -0.0013 -0.0003 0.0000 -0.0118 0.0007 0.0032 0.0005 0.0122 -0.0008 -0.0041 -0.0002 0.0155 -0.0003 0.0198 -0.0002 0.0039 -0.0008 0.0013 0.0023 0.0054 0.0021 -0.0018 0.0039 0.0010 -0.0021 -0.0063 ( 49.69%) 0.7049* S 24 s( 10.64%)p 8.26( 87.94%)d 0.12( 1.29%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3229 0.0468 0.0033 0.0002 -0.0001 0.0000 0.0000 0.0000 0.3711 0.0434 0.0034 0.0005 0.0001 0.0000 0.7970 0.0311 -0.0020 0.0014 -0.0002 0.0000 -0.3218 -0.0008 0.0021 -0.0001 0.0001 0.0571 0.0074 0.0003 -0.0001 -0.0234 -0.0049 0.0007 -0.0001 -0.0545 -0.0015 0.0015 -0.0002 -0.0665 -0.0009 0.0007 -0.0001 -0.0407 -0.0003 -0.0006 0.0000 0.0130 -0.0004 -0.0092 0.0008 -0.0121 0.0003 0.0125 0.0002 -0.0113 -0.0003 -0.0196 -0.0003 0.0009 -0.0010 0.0007 0.0038 0.0054 0.0020 -0.0019 0.0042 -0.0006 -0.0032 -0.0069 76. (1.98364) BD ( 1) S 24- S 25 ( 52.49%) 0.7245* S 24 s( 14.31%)p 5.87( 84.05%)d 0.10( 1.50%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 0.3756 0.0446 -0.0032 0.0003 0.0003 0.0000 0.0000 0.0000 -0.8108 -0.0401 0.0003 0.0012 -0.0001 0.0000 0.0651 -0.0251 -0.0059 -0.0003 -0.0001 0.0000 -0.4199 -0.0130 0.0003 0.0011 0.0000 -0.0234 0.0025 0.0001 0.0001 0.0803 0.0005 -0.0032 0.0003 -0.0091 0.0031 0.0007 -0.0001 0.0844 0.0002 -0.0019 0.0003 -0.0271 0.0033 0.0000 -0.0001 0.0189 -0.0010 0.0052 -0.0002 0.0025 -0.0001 -0.0235 0.0002 0.0016 0.0005 -0.0195 0.0005 -0.0028 0.0010 -0.0020 -0.0064 0.0000 0.0009 0.0004 0.0069 0.0002 0.0063 0.0004 ( 47.51%) 0.6893* S 25 s( 11.23%)p 7.80( 87.65%)d 0.09( 0.97%) f 0.01( 0.14%)g 0.00( 0.01%) 0.0000 0.0000 0.3310 0.0525 0.0008 0.0007 0.0000 0.0000 0.0000 0.0000 0.8262 0.0580 0.0016 0.0021 0.0000 0.0000 0.0979 -0.0166 -0.0029 0.0013 0.0000 0.0000 0.4249 0.0066 -0.0027 0.0020 0.0000 0.0251 -0.0097 0.0006 -0.0001 0.0660 0.0036 0.0000 0.0002 0.0172 -0.0127 0.0003 0.0000 0.0592 0.0183 -0.0003 0.0002 -0.0152 -0.0085 -0.0003 0.0001 -0.0179 -0.0014 -0.0063 0.0002 0.0023 -0.0004 0.0230 0.0029 0.0024 0.0011 0.0222 0.0020 -0.0035 0.0026 -0.0016 -0.0054 0.0000 0.0008 -0.0004 0.0054 0.0005 0.0049 0.0016 77. (1.95334) BD ( 1) S 25-Mo 26 ( 62.77%) 0.7923* S 25 s( 14.50%)p 5.86( 84.98%)d 0.03( 0.46%) f 0.00( 0.06%)g 0.00( 0.00%) 0.0000 0.0000 0.3804 -0.0179 0.0021 0.0009 -0.0001 0.0000 0.0000 0.0000 -0.4568 -0.0076 0.0063 0.0003 0.0000 0.0000 0.6627 -0.0011 -0.0037 -0.0010 0.0000 0.0000 0.4492 -0.0063 -0.0020 -0.0010 0.0000 -0.0392 0.0120 0.0000 -0.0001 -0.0281 0.0035 -0.0004 0.0000 0.0405 -0.0145 -0.0007 0.0002 -0.0158 0.0000 0.0002 0.0000 -0.0049 0.0001 -0.0005 0.0000 -0.0065 -0.0001 0.0110 -0.0010 -0.0010 0.0001 0.0004 -0.0011 -0.0051 -0.0009 0.0053 0.0003 0.0196 -0.0016 -0.0005 0.0017 -0.0017 0.0003 0.0001 0.0018 0.0024 -0.0029 0.0006 ( 37.23%) 0.6101*Mo 26 s( 7.78%)p 0.01( 0.09%)d11.82( 92.01%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 0.2781 0.0214 -0.0039 -0.0010 -0.0010 0.0000 0.0000 0.0131 0.0188 0.0028 0.0002 0.0000 -0.0005 -0.0159 -0.0010 0.0018 0.0000 0.0008 -0.0098 -0.0002 0.0011 -0.6201 -0.0171 -0.0091 -0.0030 -0.3874 -0.0164 -0.0096 -0.0004 0.3224 0.0274 0.0037 0.0014 0.2226 0.0226 -0.0039 0.0017 -0.4759 -0.0591 0.0040 -0.0019 0.0092 0.0010 0.0009 -0.0006 -0.0026 -0.0007 0.0095 -0.0006 0.0004 0.0066 -0.0017 0.0005 0.0142 0.0026 0.0001 -0.0172 -0.0030 0.0011 -0.0109 -0.0033 0.0014 -0.0051 0.0005 -0.0020 0.0006 0.0032 -0.0003 -0.0010 -0.0001 -0.0007 0.0001 0.0046 -0.0009 0.0066 -0.0001 -0.0145 0.0014 -0.0042 -0.0002 78. (1.72271) 3C ( 1) C 1- C 5-Mo 26 ( 43.99%) 0.6632* C 1 s( 8.44%)p10.80( 91.11%)d 0.04( 0.35%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2891 -0.0280 -0.0015 0.0005 0.0001 0.0000 0.2058 0.0091 0.0014 0.0015 0.0514 -0.0317 0.0000 -0.0025 -0.9297 -0.0243 0.0075 0.0003 -0.0104 0.0036 -0.0008 -0.0204 -0.0087 -0.0001 0.0436 -0.0006 -0.0010 0.0085 0.0015 0.0006 0.0287 -0.0084 0.0006 0.0138 0.0020 -0.0023 -0.0011 -0.0196 0.0011 0.0058 -0.0007 0.0085 0.0000 0.0079 0.0011 -0.0125 -0.0007 0.0032 -0.0022 0.0008 0.0004 0.0048 -0.0072 0.0072 0.0026 -0.0026 ( 38.42%) 0.6198* C 5 s( 5.80%)p16.16( 93.73%)d 0.06( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 0.2396 -0.0238 -0.0019 -0.0008 0.0003 0.0000 0.0692 -0.0281 -0.0068 -0.0035 0.1148 -0.0140 0.0054 -0.0004 -0.9579 -0.0224 0.0077 -0.0004 -0.0099 0.0011 -0.0007 0.0389 0.0095 0.0001 0.0187 -0.0105 -0.0010 0.0011 -0.0065 0.0013 0.0369 -0.0044 0.0003 0.0118 0.0029 -0.0214 0.0004 -0.0135 0.0007 -0.0036 -0.0006 0.0004 0.0015 -0.0003 0.0003 0.0133 0.0009 0.0020 -0.0006 -0.0012 -0.0028 -0.0034 0.0010 -0.0116 -0.0020 0.0006 ( 17.59%) 0.4195*Mo 26 s( 48.29%)p 0.00( 0.16%)d 1.06( 51.32%) f 0.00( 0.19%)g 0.00( 0.04%) 0.0000 0.6941 0.0237 -0.0227 0.0076 0.0020 0.0001 0.0000 0.0039 0.0007 0.0038 -0.0030 0.0000 0.0264 0.0176 -0.0034 0.0055 0.0000 0.0059 0.0210 -0.0009 0.0046 0.1148 0.0053 0.0267 0.0057 0.1924 0.0130 0.0023 0.0043 0.4949 -0.0329 -0.0114 -0.0042 0.0640 0.0226 0.0016 -0.0015 0.4541 0.0700 0.0091 -0.0008 0.0242 0.0077 0.0020 -0.0223 0.0058 -0.0027 -0.0150 0.0176 -0.0011 -0.0002 0.0056 -0.0020 -0.0027 -0.0022 0.0010 -0.0030 -0.0009 0.0002 0.0091 0.0068 -0.0029 0.0153 -0.0021 -0.0005 0.0002 0.0031 0.0046 0.0056 0.0004 -0.0020 -0.0026 -0.0035 -0.0001 0.0019 -0.0019 -0.0054 0.0010 -0.0042 0.0016 79. (1.80532) 3C ( 1) C 2- C 3-Mo 26 ( 36.99%) 0.6082* C 2 s( 8.94%)p10.13( 90.56%)d 0.04( 0.40%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.2964 -0.0392 -0.0003 0.0009 -0.0001 0.0000 0.3083 0.0338 -0.0017 0.0019 0.1839 -0.0044 -0.0061 -0.0027 -0.8804 -0.0175 0.0022 0.0000 0.0076 -0.0002 -0.0014 -0.0580 0.0007 -0.0004 -0.0009 0.0128 0.0000 0.0158 0.0042 -0.0008 0.0116 -0.0037 0.0013 0.0196 0.0015 -0.0009 -0.0011 -0.0055 -0.0007 -0.0166 0.0011 0.0068 0.0018 -0.0074 -0.0008 0.0050 -0.0005 0.0009 -0.0029 -0.0033 0.0047 -0.0031 0.0078 -0.0011 -0.0055 -0.0016 ( 36.99%) 0.6082* C 3 s( 7.95%)p11.52( 91.62%)d 0.04( 0.32%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2806 -0.0280 -0.0006 0.0008 0.0000 0.0000 0.2232 0.0042 -0.0061 -0.0011 0.3255 0.0400 0.0010 0.0038 -0.8710 -0.0061 0.0064 0.0002 0.0141 0.0011 -0.0016 -0.0144 0.0096 0.0001 -0.0496 -0.0028 -0.0004 -0.0140 -0.0015 -0.0007 -0.0061 -0.0038 0.0011 0.0210 0.0008 -0.0086 -0.0003 -0.0086 -0.0019 0.0161 0.0001 -0.0072 0.0019 0.0047 0.0014 0.0029 0.0001 0.0014 -0.0023 -0.0005 -0.0064 0.0040 -0.0067 -0.0027 0.0008 0.0068 ( 26.02%) 0.5101*Mo 26 s( 10.71%)p 0.01( 0.08%)d 8.32( 89.09%) f 0.01( 0.10%)g 0.00( 0.03%) 0.0000 0.3268 0.0109 -0.0101 0.0080 0.0009 0.0002 0.0000 -0.0052 -0.0101 0.0013 -0.0049 0.0000 -0.0025 -0.0033 -0.0009 -0.0002 0.0000 0.0131 0.0203 0.0036 0.0012 0.0787 -0.0030 0.0034 -0.0011 -0.7457 0.0024 0.0014 0.0073 -0.4186 -0.0261 -0.0057 0.0019 -0.2698 -0.0067 0.0081 -0.0022 0.2768 0.0541 0.0082 -0.0006 0.0078 -0.0085 0.0010 -0.0172 -0.0032 -0.0025 -0.0122 0.0045 -0.0007 0.0139 0.0002 0.0003 0.0073 0.0052 0.0010 0.0088 0.0017 0.0000 -0.0046 0.0012 -0.0001 0.0059 -0.0035 -0.0117 -0.0009 -0.0090 0.0021 -0.0066 0.0004 0.0035 0.0010 -0.0010 -0.0016 -0.0004 -0.0005 0.0004 0.0010 0.0001 0.0000 80. (1.67311) 3C ( 1) C 6- C 9- C 10 ( 19.55%) 0.4422* C 6 s( 9.01%)p10.02( 90.29%)d 0.07( 0.60%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2975 -0.0396 0.0003 0.0012 -0.0004 0.0000 0.3715 -0.0136 0.0027 -0.0027 -0.1862 -0.0151 -0.0101 -0.0035 0.8537 0.0287 -0.0019 0.0002 0.0068 -0.0127 0.0015 -0.0033 -0.0137 0.0006 -0.0236 -0.0143 -0.0027 -0.0254 -0.0060 -0.0015 0.0640 -0.0074 0.0012 0.0094 -0.0035 -0.0178 -0.0020 -0.0042 0.0006 -0.0127 -0.0015 0.0021 0.0021 0.0165 0.0000 0.0056 0.0017 -0.0001 0.0048 0.0016 -0.0048 -0.0049 0.0044 0.0008 0.0045 -0.0023 ( 28.27%) 0.5317* C 9 s( 5.55%)p16.92( 93.97%)d 0.07( 0.37%) f 0.02( 0.09%)g 0.00( 0.01%) 0.0000 0.2328 -0.0364 0.0012 0.0005 -0.0001 0.0001 0.6534 0.0296 -0.0007 0.0033 -0.0882 0.0054 -0.0034 -0.0005 0.7099 0.0037 -0.0046 -0.0028 0.0065 -0.0053 -0.0010 0.0353 -0.0039 0.0005 0.0211 -0.0054 -0.0005 0.0361 -0.0008 0.0022 -0.0175 -0.0166 0.0000 -0.0094 0.0018 -0.0173 -0.0030 -0.0036 0.0004 -0.0090 -0.0016 0.0186 -0.0005 0.0091 0.0002 0.0019 -0.0011 -0.0046 0.0031 -0.0035 -0.0026 0.0037 0.0007 -0.0004 0.0038 -0.0076 ( 52.18%) 0.7224* C 10 s( 7.11%)p13.00( 92.45%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2649 -0.0307 -0.0004 0.0005 -0.0004 0.0000 0.4939 0.0009 -0.0015 -0.0007 -0.0515 0.0244 0.0005 0.0030 0.8225 0.0270 -0.0052 0.0011 0.0233 0.0001 0.0000 0.0169 -0.0067 0.0008 0.0309 0.0012 -0.0006 0.0016 -0.0023 0.0003 0.0385 -0.0033 0.0008 0.0017 -0.0007 -0.0128 -0.0030 0.0175 -0.0008 -0.0054 -0.0002 0.0095 -0.0004 -0.0152 -0.0003 0.0069 0.0000 0.0033 -0.0025 -0.0004 0.0089 -0.0023 -0.0023 0.0024 -0.0054 0.0029 81. (1.79114) 3C ( 1) C 7- C 8-Mo 26 ( 41.45%) 0.6438* C 7 s( 7.04%)p13.15( 92.53%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2637 -0.0289 -0.0010 0.0006 -0.0003 0.0000 0.4917 -0.0059 -0.0057 -0.0024 -0.2978 -0.0366 0.0025 -0.0026 0.7702 0.0123 -0.0029 0.0007 -0.0236 0.0032 0.0010 0.0032 -0.0077 0.0005 -0.0458 0.0030 -0.0003 -0.0185 -0.0056 0.0007 0.0103 0.0060 0.0013 -0.0108 0.0004 -0.0145 -0.0017 -0.0047 -0.0003 -0.0156 0.0008 0.0089 0.0024 -0.0147 0.0008 0.0012 0.0001 -0.0026 0.0008 -0.0074 0.0023 0.0048 -0.0009 -0.0035 -0.0076 -0.0015 ( 38.98%) 0.6244* C 8 s( 5.46%)p17.23( 94.11%)d 0.06( 0.33%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2314 -0.0327 -0.0014 0.0006 -0.0002 0.0000 0.6509 0.0337 -0.0036 0.0027 -0.2209 -0.0153 0.0037 0.0006 0.6835 0.0017 -0.0049 -0.0020 -0.0243 0.0058 0.0007 0.0258 -0.0012 0.0006 -0.0142 0.0103 -0.0002 0.0262 0.0027 0.0012 -0.0301 -0.0071 0.0009 -0.0005 0.0009 -0.0261 -0.0015 0.0127 -0.0004 -0.0046 -0.0009 -0.0047 0.0013 0.0024 0.0006 0.0010 0.0021 0.0030 -0.0014 0.0056 0.0021 -0.0062 0.0010 -0.0021 0.0045 0.0072 ( 19.56%) 0.4423*Mo 26 s( 24.06%)p 0.01( 0.15%)d 3.14( 75.63%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 0.4900 0.0162 -0.0152 0.0075 0.0014 0.0002 0.0000 -0.0068 -0.0119 0.0006 -0.0042 0.0000 0.0259 0.0235 -0.0022 0.0046 0.0000 -0.0030 0.0014 -0.0039 0.0029 -0.2746 0.0017 0.0304 0.0066 0.4884 0.0408 0.0071 0.0004 -0.6099 -0.0420 -0.0117 -0.0001 -0.1078 0.0153 0.0058 -0.0017 -0.2275 0.0452 0.0050 0.0020 0.0128 0.0090 0.0010 -0.0103 0.0088 -0.0018 -0.0073 0.0092 -0.0008 -0.0153 0.0068 -0.0025 0.0081 0.0074 0.0013 -0.0025 0.0029 0.0003 0.0129 0.0094 -0.0024 -0.0049 -0.0015 0.0036 -0.0025 -0.0065 0.0024 -0.0005 -0.0015 -0.0109 -0.0020 -0.0059 -0.0005 -0.0058 -0.0013 -0.0018 0.0003 -0.0047 0.0002 82. (1.03206) 3Cn( 1) C 6- C 9- C 10 ( 59.32%) 0.7702* C 6 s( 9.01%)p10.02( 90.29%)d 0.07( 0.60%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2975 -0.0396 0.0003 0.0012 -0.0004 0.0000 0.3715 -0.0136 0.0027 -0.0027 -0.1862 -0.0151 -0.0101 -0.0035 0.8537 0.0287 -0.0019 0.0002 0.0068 -0.0127 0.0015 -0.0033 -0.0137 0.0006 -0.0236 -0.0143 -0.0027 -0.0254 -0.0060 -0.0015 0.0640 -0.0074 0.0012 0.0094 -0.0035 -0.0178 -0.0020 -0.0042 0.0006 -0.0127 -0.0015 0.0021 0.0021 0.0165 0.0000 0.0056 0.0017 -0.0001 0.0048 0.0016 -0.0048 -0.0049 0.0044 0.0008 0.0045 -0.0023 ( 40.68%) 0.6378* C 9 s( 5.55%)p16.92( 93.97%)d 0.07( 0.37%) f 0.02( 0.09%)g 0.00( 0.01%) 0.0000 -0.2328 0.0364 -0.0012 -0.0005 0.0001 -0.0001 -0.6534 -0.0296 0.0007 -0.0033 0.0882 -0.0054 0.0034 0.0005 -0.7099 -0.0037 0.0046 0.0028 -0.0065 0.0053 0.0010 -0.0353 0.0039 -0.0005 -0.0211 0.0054 0.0005 -0.0361 0.0008 -0.0022 0.0175 0.0166 0.0000 0.0094 -0.0018 0.0173 0.0030 0.0036 -0.0004 0.0090 0.0016 -0.0186 0.0005 -0.0091 -0.0002 -0.0019 0.0011 0.0046 -0.0031 0.0035 0.0026 -0.0037 -0.0007 0.0004 -0.0038 0.0076 ( 0.00%) 0.0020* C 10 s( 7.11%)p13.00( 92.45%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 -0.2649 0.0307 0.0004 -0.0005 0.0004 0.0000 -0.4939 -0.0009 0.0015 0.0007 0.0515 -0.0244 -0.0005 -0.0030 -0.8225 -0.0270 0.0052 -0.0011 -0.0233 -0.0001 0.0000 -0.0169 0.0067 -0.0008 -0.0309 -0.0012 0.0006 -0.0016 0.0023 -0.0003 -0.0385 0.0033 -0.0008 -0.0017 0.0007 0.0128 0.0030 -0.0175 0.0008 0.0054 0.0002 -0.0095 0.0004 0.0152 0.0003 -0.0069 0.0000 -0.0033 0.0025 0.0004 -0.0089 0.0023 0.0023 -0.0024 0.0054 -0.0029 ---------------- non-Lewis ---------------------------------------------------- 83. (0.02497) BD*( 1) C 1- C 2 ( 50.40%) 0.7099* C 1 s( 29.39%)p 2.39( 70.37%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5421 -0.0051 -0.0016 -0.0001 -0.0001 0.0000 0.6124 -0.0387 -0.0039 0.0019 0.5718 0.0069 0.0031 0.0016 -0.0017 0.0055 0.0089 -0.0008 -0.0140 -0.0134 -0.0009 -0.0146 -0.0015 0.0003 -0.0211 0.0014 0.0004 0.0190 -0.0006 -0.0010 0.0170 0.0062 -0.0006 -0.0034 -0.0002 -0.0060 -0.0012 -0.0088 -0.0008 -0.0050 0.0003 0.0153 0.0004 -0.0085 -0.0021 0.0062 0.0002 -0.0014 0.0018 0.0020 -0.0004 0.0005 0.0021 -0.0007 0.0113 -0.0001 ( 49.60%) -0.7043* C 2 s( 30.12%)p 2.31( 69.62%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5488 -0.0061 -0.0014 -0.0001 -0.0001 0.0000 -0.3589 -0.0174 -0.0052 -0.0013 -0.6115 0.0302 -0.0001 -0.0015 -0.4383 0.0096 0.0076 -0.0026 -0.0260 -0.0080 -0.0004 -0.0100 -0.0055 0.0001 -0.0018 -0.0078 -0.0004 -0.0106 0.0061 0.0011 0.0300 0.0009 -0.0011 0.0137 0.0008 0.0069 -0.0007 0.0037 0.0006 0.0027 0.0000 -0.0039 -0.0015 0.0124 0.0012 -0.0059 -0.0012 -0.0017 0.0017 0.0010 0.0015 -0.0016 0.0066 -0.0008 0.0066 0.0060 84. (0.02317) BD*( 1) C 1- C 5 ( 49.73%) 0.7052* C 1 s( 30.16%)p 2.31( 69.61%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5492 -0.0044 -0.0010 -0.0002 0.0001 0.0000 -0.7262 0.0230 -0.0030 -0.0028 0.2568 0.0252 0.0034 0.0010 -0.3181 0.0177 0.0072 -0.0017 0.0266 0.0059 -0.0002 0.0055 -0.0072 -0.0003 -0.0067 0.0047 0.0005 -0.0063 -0.0084 -0.0013 0.0263 0.0039 -0.0009 0.0061 0.0012 0.0068 0.0011 -0.0109 0.0001 -0.0035 0.0001 -0.0011 0.0009 -0.0065 0.0001 0.0131 0.0018 -0.0021 0.0020 0.0008 0.0012 0.0005 -0.0009 0.0056 -0.0027 0.0098 ( 50.27%) -0.7090* C 5 s( 30.67%)p 2.25( 69.11%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5538 -0.0035 -0.0012 0.0001 -0.0003 0.0000 0.7324 -0.0012 0.0015 0.0023 -0.3685 0.0359 0.0047 -0.0007 -0.1307 0.0171 0.0123 -0.0010 0.0064 0.0100 0.0015 -0.0223 0.0038 0.0011 0.0022 0.0007 0.0003 -0.0226 -0.0070 0.0002 0.0177 0.0083 -0.0008 -0.0010 0.0004 -0.0135 -0.0011 0.0008 0.0007 0.0077 -0.0004 -0.0016 -0.0004 0.0024 0.0013 -0.0151 -0.0016 -0.0024 0.0017 0.0003 0.0008 -0.0019 0.0025 -0.0002 0.0026 0.0110 85. (0.01513) BD*( 1) C 1- H 11 ( 36.72%) 0.6060* C 1 s( 31.76%)p 2.14( 68.13%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5636 -0.0034 0.0011 0.0003 0.0001 0.0000 0.2253 0.0048 0.0012 -0.0010 -0.7760 -0.0111 -0.0091 0.0044 -0.1675 0.0050 0.0008 0.0006 0.0027 0.0061 0.0002 -0.0045 0.0013 0.0007 0.0042 -0.0050 0.0007 0.0049 0.0107 0.0002 0.0078 0.0071 -0.0018 0.0104 0.0003 -0.0053 -0.0002 0.0097 0.0011 0.0087 0.0002 0.0043 0.0003 -0.0128 -0.0012 0.0104 0.0015 -0.0019 0.0002 0.0023 -0.0020 -0.0005 -0.0035 0.0009 -0.0043 -0.0073 ( 63.28%) -0.7955* H 11 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0016 0.0012 0.0000 0.0094 0.0004 0.0004 -0.0275 0.0055 -0.0010 -0.0056 0.0002 0.0000 0.0064 0.0013 0.0014 0.0001 -0.0043 -0.0011 0.0100 0.0020 0.0051 0.0015 -0.0021 0.0014 -0.0047 -0.0023 -0.0011 0.0045 -0.0045 86. (0.02476) BD*( 1) C 2- C 3 ( 49.70%) 0.7050* C 2 s( 30.07%)p 2.32( 69.67%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5483 0.0060 0.0014 0.0001 0.0001 0.0000 0.3049 0.0199 0.0054 0.0012 -0.7649 0.0304 0.0026 -0.0025 0.1315 0.0034 -0.0069 0.0017 -0.0293 -0.0081 -0.0002 -0.0018 0.0015 -0.0003 0.0149 -0.0020 -0.0006 0.0092 -0.0098 -0.0014 -0.0250 -0.0049 0.0007 -0.0026 0.0002 -0.0048 0.0000 0.0146 0.0010 0.0026 -0.0001 0.0075 -0.0008 -0.0121 -0.0020 -0.0023 -0.0007 0.0019 -0.0005 -0.0010 0.0005 0.0029 0.0001 0.0038 -0.0027 0.0100 ( 50.30%) -0.7092* C 3 s( 29.56%)p 2.37( 70.20%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5437 0.0045 0.0014 0.0001 0.0001 0.0000 -0.5658 0.0391 0.0042 -0.0017 0.5671 0.0057 0.0062 0.0012 0.2421 -0.0028 -0.0068 0.0014 -0.0148 -0.0127 -0.0009 0.0071 -0.0037 -0.0007 0.0040 0.0052 -0.0005 -0.0251 0.0000 0.0009 -0.0236 -0.0036 0.0006 -0.0073 -0.0005 0.0116 0.0008 -0.0099 -0.0003 0.0012 -0.0008 0.0018 -0.0013 0.0142 0.0018 0.0016 0.0000 0.0017 -0.0003 -0.0021 0.0028 0.0021 0.0009 0.0048 -0.0091 0.0040 87. (0.01541) BD*( 1) C 2- H 12 ( 37.80%) 0.6148* C 2 s( 30.72%)p 2.25( 69.16%)d 0.00( 0.05%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5542 -0.0045 0.0018 0.0001 0.0002 0.0000 0.8247 0.0087 0.0070 -0.0042 -0.0527 -0.0025 -0.0008 0.0003 0.0922 0.0109 0.0021 -0.0008 0.0031 0.0017 -0.0001 -0.0149 -0.0023 0.0004 -0.0003 0.0001 0.0006 -0.0001 -0.0142 -0.0002 0.0024 0.0081 -0.0015 -0.0015 -0.0004 -0.0161 -0.0009 -0.0002 0.0000 0.0043 0.0007 0.0008 -0.0002 0.0165 0.0016 -0.0031 -0.0004 -0.0020 0.0019 0.0007 0.0021 -0.0001 -0.0018 0.0023 -0.0087 0.0021 ( 62.20%) -0.7887* H 12 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0019 0.0008 0.0000 0.0306 -0.0046 0.0014 -0.0026 -0.0003 -0.0001 0.0072 0.0028 0.0005 0.0015 0.0004 -0.0025 -0.0006 0.0006 -0.0001 -0.0115 -0.0027 0.0053 0.0019 0.0020 0.0049 -0.0003 -0.0027 0.0002 -0.0062 0.0015 88. (0.02247) BD*( 1) C 3- C 4 ( 49.63%) 0.7045* C 3 s( 30.56%)p 2.26( 69.21%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5528 -0.0047 -0.0009 -0.0003 0.0001 0.0000 -0.7361 0.0209 -0.0035 -0.0029 -0.0416 -0.0323 -0.0057 -0.0001 -0.3832 0.0056 0.0050 -0.0018 -0.0249 -0.0006 0.0005 -0.0065 -0.0091 0.0000 -0.0093 -0.0018 0.0008 -0.0114 -0.0105 -0.0011 0.0248 0.0013 -0.0008 0.0135 0.0006 0.0078 0.0003 0.0016 -0.0008 -0.0051 -0.0013 0.0006 -0.0011 -0.0091 -0.0009 -0.0091 -0.0013 -0.0012 0.0021 0.0024 -0.0012 0.0014 -0.0067 -0.0007 -0.0075 -0.0054 ( 50.37%) -0.7097* C 4 s( 30.96%)p 2.22( 68.81%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5564 -0.0035 -0.0014 0.0001 -0.0003 0.0000 0.7612 -0.0048 0.0010 0.0025 0.3258 -0.0401 -0.0092 0.0008 0.0291 0.0004 0.0090 -0.0005 0.0069 -0.0095 -0.0018 -0.0226 -0.0005 0.0004 -0.0022 -0.0033 0.0003 -0.0236 -0.0092 -0.0002 0.0161 0.0065 -0.0009 -0.0042 -0.0003 -0.0111 -0.0008 -0.0048 -0.0005 0.0128 0.0000 0.0055 0.0003 0.0076 0.0019 0.0085 0.0013 -0.0014 0.0025 0.0015 0.0010 0.0002 -0.0040 -0.0009 -0.0017 -0.0108 89. (0.01499) BD*( 1) C 3- H 13 ( 36.83%) 0.6069* C 3 s( 31.68%)p 2.15( 68.21%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5629 -0.0033 0.0011 0.0003 0.0000 0.0000 0.2892 0.0055 0.0018 -0.0014 0.7534 0.0075 0.0078 -0.0042 0.1751 0.0091 0.0044 -0.0013 -0.0010 -0.0078 -0.0005 -0.0062 -0.0017 0.0006 -0.0095 -0.0052 0.0006 0.0016 0.0094 0.0002 0.0024 0.0069 -0.0018 -0.0048 -0.0007 -0.0056 -0.0002 -0.0135 -0.0004 -0.0059 -0.0011 0.0074 0.0006 -0.0144 -0.0014 -0.0075 -0.0008 -0.0014 0.0012 0.0025 -0.0005 0.0006 0.0029 0.0026 -0.0008 0.0086 ( 63.17%) -0.7948* H 13 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0015 0.0014 0.0000 0.0118 -0.0001 0.0005 0.0265 -0.0052 0.0009 0.0067 -0.0019 0.0004 -0.0079 -0.0015 -0.0018 -0.0005 -0.0042 -0.0010 0.0088 0.0018 0.0051 0.0015 0.0031 0.0012 0.0035 0.0031 -0.0028 0.0051 0.0030 90. (0.02048) BD*( 1) C 4- C 5 ( 49.98%) 0.7069* C 4 s( 31.51%)p 2.17( 68.27%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5614 -0.0009 0.0012 -0.0003 0.0005 0.0000 0.0831 -0.0323 -0.0046 0.0000 0.7302 -0.0076 0.0035 0.0028 0.3755 -0.0199 -0.0090 0.0014 -0.0123 0.0034 0.0014 0.0012 -0.0003 -0.0004 -0.0002 0.0109 0.0004 -0.0250 -0.0090 -0.0008 -0.0238 -0.0040 0.0013 -0.0095 -0.0010 0.0055 -0.0007 -0.0086 -0.0005 -0.0058 -0.0011 0.0029 -0.0005 -0.0033 0.0003 -0.0143 -0.0017 0.0023 -0.0011 -0.0020 -0.0008 -0.0003 -0.0007 -0.0063 0.0091 -0.0044 ( 50.02%) -0.7073* C 5 s( 31.36%)p 2.18( 68.42%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5600 -0.0003 0.0013 -0.0003 0.0005 0.0000 0.0157 -0.0309 -0.0049 -0.0002 -0.8249 0.0185 0.0010 -0.0031 0.0435 -0.0151 -0.0094 0.0001 0.0144 -0.0008 -0.0009 0.0078 -0.0015 -0.0010 0.0243 -0.0008 -0.0007 -0.0168 -0.0126 -0.0012 -0.0141 -0.0089 0.0008 0.0024 0.0001 0.0041 -0.0003 0.0109 0.0012 0.0092 0.0006 -0.0053 0.0005 -0.0015 0.0011 0.0139 0.0016 0.0021 -0.0007 -0.0025 0.0013 0.0001 0.0018 -0.0012 0.0115 0.0001 91. (0.01821) BD*( 1) C 4- H 14 ( 36.08%) 0.6007* C 4 s( 31.86%)p 2.14( 68.04%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5644 -0.0049 0.0015 -0.0003 0.0006 0.0000 -0.6355 -0.0124 -0.0064 0.0034 0.5243 0.0068 0.0053 -0.0027 -0.0355 0.0052 0.0021 0.0000 0.0042 0.0124 0.0003 0.0050 -0.0015 0.0008 -0.0073 0.0004 0.0008 -0.0039 -0.0025 -0.0001 0.0074 0.0082 -0.0018 0.0041 -0.0002 0.0109 0.0008 -0.0109 -0.0007 -0.0020 0.0003 0.0036 -0.0004 0.0084 0.0007 0.0143 0.0018 -0.0022 0.0006 0.0007 0.0009 -0.0030 0.0026 -0.0010 0.0086 0.0039 ( 63.92%) -0.7995* H 14 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0040 0.0005 -0.0002 -0.0223 0.0060 0.0002 0.0188 -0.0031 -0.0004 -0.0013 -0.0012 0.0000 0.0115 0.0024 -0.0004 -0.0002 0.0009 0.0000 -0.0019 -0.0005 0.0054 0.0017 0.0001 -0.0046 0.0036 0.0003 0.0002 -0.0028 -0.0062 92. (0.01943) BD*( 1) C 5- H 15 ( 35.94%) 0.5995* C 5 s( 31.91%)p 2.13( 67.98%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5649 -0.0049 0.0014 -0.0004 0.0006 0.0000 -0.6751 -0.0133 -0.0071 0.0035 -0.4087 -0.0070 -0.0054 0.0021 -0.2381 0.0028 -0.0006 0.0012 -0.0052 -0.0102 -0.0005 0.0037 -0.0067 0.0007 0.0017 -0.0040 0.0006 -0.0028 -0.0056 -0.0002 0.0104 0.0066 -0.0018 0.0122 0.0005 0.0059 0.0008 0.0032 0.0004 -0.0059 -0.0003 -0.0114 -0.0005 0.0005 0.0003 -0.0139 -0.0019 -0.0016 0.0020 0.0016 0.0000 0.0002 -0.0003 -0.0044 0.0053 -0.0074 ( 64.06%) -0.8004* H 15 s( 99.89%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0046 0.0005 -0.0003 -0.0234 0.0067 0.0002 -0.0144 0.0030 0.0005 -0.0084 -0.0001 0.0003 -0.0097 -0.0021 -0.0055 -0.0013 -0.0029 -0.0008 -0.0045 -0.0012 0.0039 0.0014 -0.0031 -0.0036 -0.0022 0.0018 0.0034 -0.0002 0.0062 93. (0.02453) BD*( 1) C 6- C 7 ( 50.22%) 0.7086* C 6 s( 29.50%)p 2.38( 70.27%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5431 -0.0041 -0.0019 -0.0003 0.0001 0.0000 0.4443 0.0085 -0.0001 0.0020 -0.6927 0.0352 0.0029 -0.0026 -0.1546 -0.0135 -0.0100 -0.0002 0.0094 0.0117 0.0010 0.0270 0.0035 -0.0011 -0.0239 -0.0074 -0.0001 -0.0057 0.0050 0.0009 -0.0018 0.0068 0.0001 0.0075 0.0006 -0.0024 -0.0004 -0.0032 0.0008 0.0002 0.0007 0.0155 0.0016 -0.0104 -0.0008 0.0034 -0.0013 0.0010 -0.0022 0.0018 0.0009 0.0004 -0.0057 0.0029 0.0070 -0.0063 ( 49.78%) -0.7056* C 7 s( 30.12%)p 2.31( 69.66%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5488 0.0001 -0.0017 -0.0002 0.0001 0.0000 -0.3434 0.0232 -0.0024 -0.0002 0.4760 0.0159 0.0058 0.0012 0.5922 -0.0227 -0.0082 0.0023 0.0166 0.0047 0.0009 0.0098 0.0057 -0.0001 -0.0153 -0.0101 -0.0003 0.0195 0.0000 -0.0011 0.0226 -0.0033 -0.0015 -0.0090 -0.0013 -0.0073 -0.0001 -0.0029 0.0012 -0.0062 -0.0010 -0.0112 -0.0011 0.0099 0.0011 0.0042 -0.0001 0.0003 -0.0029 -0.0013 0.0026 0.0049 -0.0080 -0.0017 0.0060 -0.0016 94. (0.02439) BD*( 1) C 6- C 10 ( 50.23%) 0.7087* C 6 s( 29.51%)p 2.38( 70.26%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5432 -0.0041 -0.0019 -0.0002 0.0001 0.0000 0.4571 0.0078 -0.0001 0.0021 0.6873 -0.0267 0.0014 0.0024 0.1403 -0.0267 -0.0103 0.0009 -0.0197 -0.0123 -0.0004 0.0212 -0.0016 -0.0014 0.0189 -0.0013 -0.0003 0.0034 0.0059 0.0008 0.0149 0.0092 0.0000 0.0067 -0.0006 -0.0094 -0.0012 -0.0043 -0.0013 -0.0022 0.0005 -0.0041 -0.0005 -0.0159 -0.0013 -0.0023 0.0010 -0.0011 -0.0004 -0.0001 -0.0039 0.0035 0.0000 -0.0051 0.0049 0.0077 ( 49.77%) -0.7055* C 10 s( 30.11%)p 2.31( 69.67%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5487 0.0000 -0.0017 -0.0002 0.0001 0.0000 -0.3535 0.0230 -0.0025 -0.0003 -0.6703 -0.0056 -0.0019 -0.0020 0.3478 -0.0273 -0.0099 0.0017 -0.0199 -0.0068 -0.0008 0.0020 0.0034 -0.0004 -0.0117 0.0088 0.0016 0.0196 0.0041 -0.0007 0.0240 0.0040 -0.0008 -0.0004 -0.0014 -0.0006 0.0004 0.0117 0.0011 -0.0020 -0.0008 0.0074 0.0003 0.0148 0.0015 -0.0025 0.0006 0.0000 -0.0030 -0.0016 0.0015 0.0043 -0.0059 -0.0035 0.0057 0.0058 95. (0.01429) BD*( 1) C 6- H 16 ( 35.66%) 0.5972* C 6 s( 31.81%)p 2.14( 68.08%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5640 -0.0027 0.0010 0.0005 -0.0002 0.0000 -0.6729 -0.0161 -0.0083 0.0035 -0.0938 0.0000 -0.0002 0.0004 0.4679 0.0009 0.0014 -0.0019 0.0003 -0.0027 0.0003 -0.0005 0.0134 -0.0014 -0.0022 0.0010 0.0007 -0.0068 -0.0088 -0.0009 0.0097 0.0021 -0.0013 -0.0106 -0.0009 -0.0110 0.0000 0.0006 -0.0001 0.0148 0.0015 0.0057 0.0004 -0.0077 -0.0015 -0.0037 -0.0004 0.0013 -0.0020 0.0013 -0.0038 -0.0016 0.0058 0.0033 -0.0055 -0.0016 ( 64.34%) -0.8021* H 16 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0024 0.0004 0.0000 -0.0247 0.0058 -0.0003 -0.0031 0.0002 0.0000 0.0153 -0.0012 -0.0001 -0.0021 -0.0006 0.0105 0.0029 0.0020 0.0002 -0.0081 -0.0017 -0.0007 0.0003 0.0043 0.0012 0.0000 -0.0064 -0.0014 0.0041 0.0016 96. (0.02119) BD*( 1) C 7- C 8 ( 50.60%) 0.7113* C 7 s( 30.69%)p 2.25( 69.06%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 -0.5539 -0.0079 -0.0014 -0.0002 -0.0001 0.0000 0.7729 -0.0296 -0.0026 0.0028 0.2007 0.0271 0.0067 0.0012 -0.2258 0.0146 -0.0059 -0.0005 -0.0253 -0.0057 0.0004 0.0244 0.0062 -0.0003 0.0142 0.0002 0.0002 0.0070 -0.0115 -0.0016 0.0098 0.0033 -0.0005 0.0093 0.0009 -0.0041 -0.0004 0.0030 -0.0001 -0.0130 -0.0003 -0.0124 -0.0005 -0.0008 0.0001 0.0073 0.0023 0.0014 -0.0033 -0.0002 -0.0002 -0.0018 0.0002 0.0082 -0.0040 -0.0071 ( 49.40%) -0.7029* C 8 s( 32.21%)p 2.10( 67.54%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5675 -0.0058 -0.0012 -0.0001 0.0001 0.0000 -0.4720 -0.0002 -0.0074 -0.0018 -0.4531 0.0391 0.0034 -0.0015 0.4957 -0.0003 -0.0046 0.0022 -0.0079 -0.0103 -0.0005 0.0285 0.0078 -0.0013 -0.0030 0.0068 0.0013 -0.0214 -0.0002 0.0001 0.0141 -0.0016 -0.0005 -0.0140 0.0000 -0.0032 -0.0007 0.0036 -0.0004 0.0037 0.0012 0.0128 0.0018 -0.0023 -0.0003 -0.0102 -0.0010 0.0033 -0.0044 0.0014 0.0022 -0.0028 -0.0034 0.0075 0.0028 -0.0054 97. (0.01563) BD*( 1) C 7- H 17 ( 36.30%) 0.6025* C 7 s( 31.93%)p 2.13( 67.96%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5650 -0.0038 0.0020 0.0003 -0.0001 0.0000 -0.1948 -0.0053 -0.0042 0.0012 -0.8009 -0.0110 -0.0058 0.0040 0.0070 -0.0073 -0.0020 0.0005 -0.0068 -0.0056 0.0003 0.0009 0.0009 -0.0017 -0.0094 0.0002 0.0006 0.0028 0.0115 -0.0003 0.0061 0.0075 -0.0010 -0.0009 0.0002 0.0014 0.0003 0.0152 0.0011 -0.0013 0.0001 0.0031 -0.0004 0.0107 0.0015 0.0143 0.0010 -0.0016 0.0003 0.0003 -0.0047 0.0027 0.0030 -0.0023 -0.0042 0.0062 ( 63.70%) -0.7981* H 17 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0026 -0.0003 -0.0002 -0.0057 0.0027 0.0001 -0.0296 0.0045 -0.0006 -0.0009 0.0000 0.0000 -0.0049 -0.0010 -0.0008 0.0002 0.0004 -0.0001 0.0103 0.0021 0.0059 0.0015 -0.0006 -0.0014 -0.0053 -0.0008 -0.0001 -0.0049 -0.0047 98. (0.02225) BD*( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 31.12%)p 2.21( 68.66%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0029 0.0010 0.0003 -0.0001 0.0000 -0.1974 0.0340 0.0073 -0.0005 -0.7643 0.0172 -0.0033 -0.0020 -0.2487 -0.0078 0.0035 -0.0015 -0.0155 0.0062 0.0010 -0.0136 0.0016 0.0017 0.0118 0.0051 -0.0001 -0.0239 -0.0107 -0.0003 -0.0178 -0.0027 -0.0001 0.0069 0.0003 0.0067 -0.0004 0.0123 0.0002 0.0075 0.0016 -0.0003 -0.0003 0.0006 0.0001 0.0131 0.0014 -0.0004 -0.0003 -0.0041 0.0056 0.0020 -0.0055 -0.0024 0.0072 -0.0021 ( 50.00%) -0.7071* C 9 s( 31.12%)p 2.21( 68.65%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0030 0.0010 0.0003 -0.0002 0.0000 -0.1832 0.0337 0.0073 -0.0004 0.8026 -0.0132 0.0014 0.0025 0.0847 -0.0143 0.0045 -0.0005 0.0207 -0.0059 -0.0016 -0.0060 -0.0010 0.0011 0.0125 0.0023 0.0003 -0.0231 -0.0115 -0.0003 -0.0175 -0.0039 0.0001 -0.0075 -0.0004 0.0052 -0.0002 -0.0114 -0.0008 -0.0089 0.0003 -0.0037 0.0004 -0.0012 0.0002 -0.0126 -0.0020 0.0006 -0.0002 -0.0026 0.0047 0.0020 -0.0035 -0.0065 0.0061 0.0045 99. (0.01472) BD*( 1) C 8- H 18 ( 37.45%) 0.6120* C 8 s( 31.01%)p 2.22( 68.87%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5569 -0.0024 0.0015 0.0003 -0.0001 0.0000 0.5563 0.0048 0.0032 -0.0026 -0.3968 -0.0028 -0.0033 0.0019 -0.4707 -0.0129 -0.0054 0.0026 -0.0031 0.0094 0.0004 0.0103 0.0101 -0.0015 -0.0069 -0.0070 0.0003 0.0029 -0.0025 -0.0008 -0.0077 0.0014 -0.0011 0.0114 0.0003 0.0039 0.0006 -0.0023 -0.0007 -0.0075 -0.0004 0.0161 0.0017 -0.0030 -0.0002 -0.0083 -0.0009 0.0015 -0.0009 -0.0008 -0.0011 0.0052 -0.0028 -0.0059 0.0040 0.0043 ( 62.55%) -0.7909* H 18 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0016 0.0010 0.0000 0.0195 -0.0033 0.0006 -0.0131 0.0039 -0.0003 -0.0203 0.0007 -0.0008 0.0080 0.0015 0.0079 0.0020 -0.0058 -0.0014 -0.0029 -0.0004 -0.0005 0.0002 -0.0034 -0.0028 0.0019 0.0019 -0.0062 0.0012 0.0029 100. (0.02135) BD*( 1) C 9- C 10 ( 49.40%) 0.7029* C 9 s( 32.17%)p 2.10( 67.59%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5671 0.0058 0.0012 0.0000 -0.0001 0.0000 0.4642 0.0010 0.0074 0.0017 -0.2202 0.0355 0.0011 -0.0005 -0.6406 0.0161 0.0056 -0.0026 0.0036 -0.0062 -0.0010 -0.0295 -0.0112 0.0010 -0.0005 0.0036 0.0006 0.0205 0.0022 0.0003 -0.0155 0.0057 0.0012 0.0118 0.0001 0.0097 0.0016 -0.0067 0.0006 -0.0093 -0.0014 0.0059 0.0007 0.0069 0.0010 -0.0074 -0.0003 0.0002 0.0001 0.0018 0.0060 -0.0053 -0.0033 0.0063 0.0014 -0.0054 ( 50.60%) -0.7113* C 10 s( 30.65%)p 2.25( 69.11%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5536 0.0079 0.0014 0.0002 0.0001 0.0000 -0.7705 0.0301 0.0027 -0.0028 0.1047 0.0301 0.0036 0.0010 0.2907 -0.0023 0.0081 0.0009 -0.0131 -0.0031 0.0002 -0.0322 -0.0081 0.0004 0.0190 -0.0019 -0.0008 -0.0004 0.0109 0.0015 0.0032 -0.0040 0.0003 -0.0067 -0.0008 -0.0044 0.0000 0.0012 0.0002 0.0160 0.0015 -0.0116 -0.0006 -0.0055 -0.0003 -0.0003 0.0018 -0.0016 0.0013 -0.0008 0.0045 -0.0016 -0.0056 0.0027 0.0070 -0.0058 101. (0.01472) BD*( 1) C 9- H 19 ( 37.46%) 0.6120* C 9 s( 31.00%)p 2.22( 68.89%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5567 -0.0024 0.0015 0.0003 -0.0001 0.0000 0.5649 0.0048 0.0033 -0.0026 0.5443 0.0077 0.0052 -0.0027 -0.2708 -0.0108 -0.0036 0.0016 -0.0015 -0.0126 0.0002 0.0108 0.0055 -0.0015 0.0083 0.0047 0.0008 0.0064 -0.0003 -0.0007 -0.0020 0.0060 -0.0009 0.0096 0.0008 -0.0059 -0.0005 -0.0056 0.0000 -0.0039 0.0003 -0.0116 -0.0014 -0.0100 -0.0010 0.0115 0.0009 0.0009 -0.0031 -0.0020 0.0019 0.0010 -0.0064 0.0024 0.0064 -0.0017 ( 62.54%) -0.7908* H 19 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0016 0.0010 0.0000 0.0196 -0.0036 0.0006 0.0199 -0.0037 0.0006 -0.0135 -0.0009 -0.0007 -0.0104 -0.0023 0.0040 0.0013 0.0052 0.0010 -0.0008 0.0001 0.0038 0.0011 -0.0037 0.0012 0.0015 0.0002 0.0053 0.0041 -0.0035 102. (0.01562) BD*( 1) C 10- H 20 ( 36.32%) 0.6026* C 10 s( 31.91%)p 2.13( 67.98%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5649 -0.0038 0.0020 0.0003 -0.0001 0.0000 -0.1800 -0.0052 -0.0041 0.0011 0.7314 0.0131 0.0062 -0.0039 0.3349 -0.0021 0.0006 -0.0012 0.0057 0.0043 0.0004 0.0036 0.0029 -0.0017 0.0013 -0.0093 0.0004 0.0053 0.0096 -0.0003 0.0102 0.0038 -0.0011 -0.0114 -0.0007 -0.0025 0.0002 -0.0016 -0.0004 -0.0149 -0.0010 -0.0072 -0.0005 0.0071 0.0014 -0.0101 -0.0008 0.0010 -0.0021 0.0029 0.0007 -0.0018 -0.0027 0.0062 -0.0019 -0.0060 ( 63.68%) -0.7980* H 20 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0026 -0.0003 -0.0002 -0.0053 0.0025 0.0001 0.0274 -0.0041 0.0006 0.0113 -0.0019 0.0003 0.0044 0.0008 0.0011 0.0006 -0.0080 -0.0017 0.0086 0.0018 0.0027 0.0009 0.0039 -0.0002 0.0019 0.0044 0.0029 -0.0038 0.0039 103. (0.06368) BD*( 1) S 21- S 22 ( 52.51%) 0.7246* S 21 s( 11.26%)p 7.78( 87.63%)d 0.09( 0.96%) f 0.01( 0.15%)g 0.00( 0.01%) 0.0000 0.0000 -0.3312 -0.0538 -0.0008 -0.0006 0.0000 0.0000 0.0000 0.0000 -0.8307 -0.0581 -0.0015 -0.0021 0.0000 0.0000 0.2631 -0.0125 -0.0036 0.0019 0.0000 0.0000 -0.3365 -0.0125 0.0011 -0.0012 0.0000 0.0496 -0.0076 0.0005 0.0000 -0.0483 -0.0069 0.0003 -0.0002 0.0224 -0.0068 -0.0001 0.0001 -0.0510 -0.0228 0.0004 -0.0001 0.0325 0.0005 0.0004 0.0000 0.0182 0.0012 0.0110 0.0010 -0.0020 -0.0002 -0.0215 -0.0013 0.0076 0.0017 -0.0200 -0.0013 0.0081 0.0037 0.0004 0.0047 -0.0013 0.0004 -0.0012 -0.0040 0.0033 -0.0037 0.0045 ( 47.49%) -0.6891* S 22 s( 14.36%)p 5.85( 83.99%)d 0.10( 1.50%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 -0.3763 -0.0445 0.0032 -0.0002 -0.0003 0.0000 0.0000 0.0000 0.8176 0.0403 -0.0003 -0.0013 0.0001 0.0000 -0.1053 -0.0282 -0.0053 0.0001 -0.0001 0.0000 0.3975 0.0011 -0.0028 -0.0011 0.0000 0.0102 0.0022 -0.0010 0.0002 -0.0812 0.0007 0.0029 -0.0002 0.0070 0.0043 -0.0002 0.0000 -0.0861 0.0014 0.0020 -0.0003 0.0288 -0.0006 0.0001 0.0001 -0.0149 0.0005 -0.0073 0.0005 0.0050 -0.0009 0.0212 0.0000 -0.0040 0.0004 0.0191 -0.0003 -0.0143 0.0010 0.0005 0.0065 -0.0016 0.0004 -0.0006 -0.0053 0.0039 -0.0052 0.0042 104. (0.40641) BD*( 1) S 21-Mo 26 ( 37.11%) 0.6091* S 21 s( 14.49%)p 5.87( 85.00%)d 0.03( 0.45%) f 0.00( 0.06%)g 0.00( 0.00%) 0.0000 0.0000 0.3802 -0.0182 0.0022 0.0009 -0.0001 0.0000 0.0000 0.0000 -0.4521 -0.0076 0.0063 0.0002 0.0000 0.0000 -0.7920 0.0036 0.0042 0.0013 0.0000 0.0000 0.1349 -0.0049 -0.0002 -0.0005 0.0000 0.0461 -0.0122 0.0002 0.0001 -0.0090 -0.0020 -0.0004 0.0000 -0.0172 0.0094 0.0007 -0.0001 -0.0286 0.0053 0.0005 0.0000 -0.0277 0.0100 0.0001 -0.0001 -0.0017 0.0001 0.0109 -0.0002 0.0086 0.0003 -0.0062 -0.0001 -0.0058 0.0010 0.0048 0.0009 -0.0182 0.0019 0.0014 0.0005 0.0007 0.0004 -0.0021 0.0002 -0.0005 -0.0037 -0.0012 ( 62.89%) -0.7931*Mo 26 s( 7.83%)p 0.01( 0.09%)d11.74( 91.96%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 0.2790 0.0211 -0.0039 -0.0010 -0.0010 0.0000 0.0000 0.0132 0.0189 0.0027 0.0003 0.0000 -0.0007 0.0184 0.0010 -0.0021 0.0000 0.0007 -0.0023 0.0002 0.0002 0.7200 0.0218 0.0125 0.0029 -0.0968 -0.0078 -0.0055 0.0008 0.0120 0.0110 -0.0032 -0.0004 0.1679 0.0195 -0.0053 0.0014 -0.5982 -0.0659 0.0017 -0.0027 -0.0055 0.0014 0.0001 -0.0062 -0.0030 -0.0008 -0.0154 -0.0002 -0.0009 0.0021 0.0004 -0.0008 -0.0014 0.0012 -0.0001 -0.0207 -0.0032 0.0009 0.0086 0.0038 -0.0014 -0.0031 0.0004 -0.0025 0.0006 0.0056 -0.0003 -0.0006 -0.0003 -0.0019 0.0001 0.0060 -0.0007 0.0041 -0.0006 -0.0149 0.0012 0.0012 0.0006 105. (0.11797) BD*( 1) S 22- S 23 ( 50.39%) 0.7098* S 22 s( 10.57%)p 8.32( 88.01%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3219 -0.0461 -0.0032 -0.0002 0.0001 0.0000 0.0000 0.0000 -0.3596 -0.0435 -0.0036 -0.0005 -0.0001 0.0000 0.6079 0.0285 -0.0010 0.0013 -0.0001 0.0000 0.6150 0.0138 -0.0027 0.0007 -0.0001 0.0415 0.0048 0.0005 -0.0001 0.0428 0.0071 -0.0005 0.0000 -0.0883 -0.0017 0.0010 -0.0001 0.0373 0.0006 -0.0002 0.0001 -0.0131 -0.0010 0.0015 -0.0001 -0.0133 0.0005 -0.0021 -0.0009 0.0118 0.0000 -0.0111 -0.0006 -0.0214 0.0001 0.0107 0.0002 0.0068 -0.0009 0.0054 -0.0021 0.0020 0.0013 0.0056 -0.0060 -0.0019 0.0023 -0.0038 ( 49.61%) -0.7044* S 23 s( 11.09%)p 7.89( 87.55%)d 0.11( 1.26%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3306 -0.0401 -0.0011 -0.0001 0.0000 0.0000 0.0000 0.0000 0.4108 -0.0040 -0.0046 0.0001 -0.0001 0.0000 -0.5940 0.0441 -0.0032 -0.0005 0.0000 0.0000 -0.5930 0.0148 0.0031 0.0000 0.0001 0.0574 -0.0032 -0.0005 0.0000 0.0624 -0.0030 -0.0012 0.0002 -0.0719 -0.0039 0.0012 -0.0002 0.0083 -0.0021 0.0007 0.0000 -0.0091 -0.0012 0.0015 -0.0001 0.0147 -0.0010 0.0094 -0.0006 -0.0075 0.0003 0.0079 -0.0004 0.0209 0.0000 -0.0098 0.0001 0.0011 -0.0007 0.0049 -0.0012 0.0021 0.0026 0.0042 -0.0058 -0.0004 0.0021 -0.0033 106. (0.11800) BD*( 1) S 23- S 24 ( 49.69%) 0.7049* S 23 s( 11.09%)p 7.89( 87.54%)d 0.11( 1.26%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3307 0.0402 0.0011 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4227 0.0048 0.0046 -0.0001 0.0001 0.0000 -0.7740 0.0463 -0.0018 -0.0004 0.0000 0.0000 0.3089 0.0041 -0.0042 -0.0002 -0.0001 0.0785 -0.0018 -0.0009 0.0001 -0.0353 0.0039 0.0010 -0.0002 -0.0514 -0.0027 0.0019 -0.0002 -0.0327 0.0034 0.0000 -0.0001 -0.0373 -0.0013 -0.0003 0.0000 -0.0118 0.0007 0.0032 0.0005 0.0122 -0.0008 -0.0041 -0.0002 0.0155 -0.0003 0.0198 -0.0002 0.0039 -0.0008 0.0013 0.0023 0.0054 0.0021 -0.0018 0.0039 0.0010 -0.0021 -0.0063 ( 50.31%) -0.7093* S 24 s( 10.64%)p 8.26( 87.94%)d 0.12( 1.29%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3229 0.0468 0.0033 0.0002 -0.0001 0.0000 0.0000 0.0000 0.3711 0.0434 0.0034 0.0005 0.0001 0.0000 0.7970 0.0311 -0.0020 0.0014 -0.0002 0.0000 -0.3218 -0.0008 0.0021 -0.0001 0.0001 0.0571 0.0074 0.0003 -0.0001 -0.0234 -0.0049 0.0007 -0.0001 -0.0545 -0.0015 0.0015 -0.0002 -0.0665 -0.0009 0.0007 -0.0001 -0.0407 -0.0003 -0.0006 0.0000 0.0130 -0.0004 -0.0092 0.0008 -0.0121 0.0003 0.0125 0.0002 -0.0113 -0.0003 -0.0196 -0.0003 0.0009 -0.0010 0.0007 0.0038 0.0054 0.0020 -0.0019 0.0042 -0.0006 -0.0032 -0.0069 107. (0.06350) BD*( 1) S 24- S 25 ( 47.51%) 0.6893* S 24 s( 14.31%)p 5.87( 84.05%)d 0.10( 1.50%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 0.3756 0.0446 -0.0032 0.0003 0.0003 0.0000 0.0000 0.0000 -0.8108 -0.0401 0.0003 0.0012 -0.0001 0.0000 0.0651 -0.0251 -0.0059 -0.0003 -0.0001 0.0000 -0.4199 -0.0130 0.0003 0.0011 0.0000 -0.0234 0.0025 0.0001 0.0001 0.0803 0.0005 -0.0032 0.0003 -0.0091 0.0031 0.0007 -0.0001 0.0844 0.0002 -0.0019 0.0003 -0.0271 0.0033 0.0000 -0.0001 0.0189 -0.0010 0.0052 -0.0002 0.0025 -0.0001 -0.0235 0.0002 0.0016 0.0005 -0.0195 0.0005 -0.0028 0.0010 -0.0020 -0.0064 0.0000 0.0009 0.0004 0.0069 0.0002 0.0063 0.0004 ( 52.49%) -0.7245* S 25 s( 11.23%)p 7.80( 87.65%)d 0.09( 0.97%) f 0.01( 0.14%)g 0.00( 0.01%) 0.0000 0.0000 0.3310 0.0525 0.0008 0.0007 0.0000 0.0000 0.0000 0.0000 0.8262 0.0580 0.0016 0.0021 0.0000 0.0000 0.0979 -0.0166 -0.0029 0.0013 0.0000 0.0000 0.4249 0.0066 -0.0027 0.0020 0.0000 0.0251 -0.0097 0.0006 -0.0001 0.0660 0.0036 0.0000 0.0002 0.0172 -0.0127 0.0003 0.0000 0.0592 0.0183 -0.0003 0.0002 -0.0152 -0.0085 -0.0003 0.0001 -0.0179 -0.0014 -0.0063 0.0002 0.0023 -0.0004 0.0230 0.0029 0.0024 0.0011 0.0222 0.0020 -0.0035 0.0026 -0.0016 -0.0054 0.0000 0.0008 -0.0004 0.0054 0.0005 0.0049 0.0016 108. (0.40366) BD*( 1) S 25-Mo 26 ( 37.23%) 0.6101* S 25 s( 14.50%)p 5.86( 84.98%)d 0.03( 0.46%) f 0.00( 0.06%)g 0.00( 0.00%) 0.0000 0.0000 0.3804 -0.0179 0.0021 0.0009 -0.0001 0.0000 0.0000 0.0000 -0.4568 -0.0076 0.0063 0.0003 0.0000 0.0000 0.6627 -0.0011 -0.0037 -0.0010 0.0000 0.0000 0.4492 -0.0063 -0.0020 -0.0010 0.0000 -0.0392 0.0120 0.0000 -0.0001 -0.0281 0.0035 -0.0004 0.0000 0.0405 -0.0145 -0.0007 0.0002 -0.0158 0.0000 0.0002 0.0000 -0.0049 0.0001 -0.0005 0.0000 -0.0065 -0.0001 0.0110 -0.0010 -0.0010 0.0001 0.0004 -0.0011 -0.0051 -0.0009 0.0053 0.0003 0.0196 -0.0016 -0.0005 0.0017 -0.0017 0.0003 0.0001 0.0018 0.0024 -0.0029 0.0006 ( 62.77%) -0.7923*Mo 26 s( 7.78%)p 0.01( 0.09%)d11.82( 92.01%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 0.2781 0.0214 -0.0039 -0.0010 -0.0010 0.0000 0.0000 0.0131 0.0188 0.0028 0.0002 0.0000 -0.0005 -0.0159 -0.0010 0.0018 0.0000 0.0008 -0.0098 -0.0002 0.0011 -0.6201 -0.0171 -0.0091 -0.0030 -0.3874 -0.0164 -0.0096 -0.0004 0.3224 0.0274 0.0037 0.0014 0.2226 0.0226 -0.0039 0.0017 -0.4759 -0.0591 0.0040 -0.0019 0.0092 0.0010 0.0009 -0.0006 -0.0026 -0.0007 0.0095 -0.0006 0.0004 0.0066 -0.0017 0.0005 0.0142 0.0026 0.0001 -0.0172 -0.0030 0.0011 -0.0109 -0.0033 0.0014 -0.0051 0.0005 -0.0020 0.0006 0.0032 -0.0003 -0.0010 -0.0001 -0.0007 0.0001 0.0046 -0.0009 0.0066 -0.0001 -0.0145 0.0014 -0.0042 -0.0002 109. (0.45079) 3Cn( 1) C 1- C 5-Mo 26 ( 54.11%) 0.7356* C 1 s( 8.44%)p10.80( 91.11%)d 0.04( 0.35%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2891 -0.0280 -0.0015 0.0005 0.0001 0.0000 0.2058 0.0091 0.0014 0.0015 0.0514 -0.0317 0.0000 -0.0025 -0.9297 -0.0243 0.0075 0.0003 -0.0104 0.0036 -0.0008 -0.0204 -0.0087 -0.0001 0.0436 -0.0006 -0.0010 0.0085 0.0015 0.0006 0.0287 -0.0084 0.0006 0.0138 0.0020 -0.0023 -0.0011 -0.0196 0.0011 0.0058 -0.0007 0.0085 0.0000 0.0079 0.0011 -0.0125 -0.0007 0.0032 -0.0022 0.0008 0.0004 0.0048 -0.0072 0.0072 0.0026 -0.0026 ( 41.36%) 0.6431* C 5 s( 5.80%)p16.16( 93.73%)d 0.06( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 -0.2396 0.0238 0.0019 0.0008 -0.0003 0.0000 -0.0692 0.0281 0.0068 0.0035 -0.1148 0.0140 -0.0054 0.0004 0.9579 0.0224 -0.0077 0.0004 0.0099 -0.0011 0.0007 -0.0389 -0.0095 -0.0001 -0.0187 0.0105 0.0010 -0.0011 0.0065 -0.0013 -0.0369 0.0044 -0.0003 -0.0118 -0.0029 0.0214 -0.0004 0.0135 -0.0007 0.0036 0.0006 -0.0004 -0.0015 0.0003 -0.0003 -0.0133 -0.0009 -0.0020 0.0006 0.0012 0.0028 0.0034 -0.0010 0.0116 0.0020 -0.0006 ( 4.53%) 0.2127*Mo 26 s( 48.29%)p 0.00( 0.16%)d 1.06( 51.32%) f 0.00( 0.19%)g 0.00( 0.04%) 0.0000 -0.6941 -0.0237 0.0227 -0.0076 -0.0020 -0.0001 0.0000 -0.0039 -0.0007 -0.0038 0.0030 0.0000 -0.0264 -0.0176 0.0034 -0.0055 0.0000 -0.0059 -0.0210 0.0009 -0.0046 -0.1148 -0.0053 -0.0267 -0.0057 -0.1924 -0.0130 -0.0023 -0.0043 -0.4949 0.0329 0.0114 0.0042 -0.0640 -0.0226 -0.0016 0.0015 -0.4541 -0.0700 -0.0091 0.0008 -0.0242 -0.0077 -0.0020 0.0223 -0.0058 0.0027 0.0150 -0.0176 0.0011 0.0002 -0.0056 0.0020 0.0027 0.0022 -0.0010 0.0030 0.0009 -0.0002 -0.0091 -0.0068 0.0029 -0.0153 0.0021 0.0005 -0.0002 -0.0031 -0.0046 -0.0056 -0.0004 0.0020 0.0026 0.0035 0.0001 -0.0019 0.0019 0.0054 -0.0010 0.0042 -0.0016 110. (0.53611) 3Cn( 1) C 2- C 3-Mo 26 ( 16.87%) 0.4107* C 2 s( 8.94%)p10.13( 90.56%)d 0.04( 0.40%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 -0.2964 0.0392 0.0003 -0.0009 0.0001 0.0000 -0.3083 -0.0338 0.0017 -0.0019 -0.1839 0.0044 0.0061 0.0027 0.8804 0.0175 -0.0022 0.0000 -0.0076 0.0002 0.0014 0.0580 -0.0007 0.0004 0.0009 -0.0128 0.0000 -0.0158 -0.0042 0.0008 -0.0116 0.0037 -0.0013 -0.0196 -0.0015 0.0009 0.0011 0.0055 0.0007 0.0166 -0.0011 -0.0068 -0.0018 0.0074 0.0008 -0.0050 0.0005 -0.0009 0.0029 0.0033 -0.0047 0.0031 -0.0078 0.0011 0.0055 0.0016 ( 62.57%) 0.7910* C 3 s( 7.95%)p11.52( 91.62%)d 0.04( 0.32%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2806 -0.0280 -0.0006 0.0008 0.0000 0.0000 0.2232 0.0042 -0.0061 -0.0011 0.3255 0.0400 0.0010 0.0038 -0.8710 -0.0061 0.0064 0.0002 0.0141 0.0011 -0.0016 -0.0144 0.0096 0.0001 -0.0496 -0.0028 -0.0004 -0.0140 -0.0015 -0.0007 -0.0061 -0.0038 0.0011 0.0210 0.0008 -0.0086 -0.0003 -0.0086 -0.0019 0.0161 0.0001 -0.0072 0.0019 0.0047 0.0014 0.0029 0.0001 0.0014 -0.0023 -0.0005 -0.0064 0.0040 -0.0067 -0.0027 0.0008 0.0068 ( 20.56%) 0.4534*Mo 26 s( 10.71%)p 0.01( 0.08%)d 8.32( 89.09%) f 0.01( 0.10%)g 0.00( 0.03%) 0.0000 -0.3268 -0.0109 0.0101 -0.0080 -0.0009 -0.0002 0.0000 0.0052 0.0101 -0.0013 0.0049 0.0000 0.0025 0.0033 0.0009 0.0002 0.0000 -0.0131 -0.0203 -0.0036 -0.0012 -0.0787 0.0030 -0.0034 0.0011 0.7457 -0.0024 -0.0014 -0.0073 0.4186 0.0261 0.0057 -0.0019 0.2698 0.0067 -0.0081 0.0022 -0.2768 -0.0541 -0.0082 0.0006 -0.0078 0.0085 -0.0010 0.0172 0.0032 0.0025 0.0122 -0.0045 0.0007 -0.0139 -0.0002 -0.0003 -0.0073 -0.0052 -0.0010 -0.0088 -0.0017 0.0000 0.0046 -0.0012 0.0001 -0.0059 0.0035 0.0117 0.0009 0.0090 -0.0021 0.0066 -0.0004 -0.0035 -0.0010 0.0010 0.0016 0.0004 0.0005 -0.0004 -0.0010 -0.0001 0.0000 111. (0.46266) 3Cn( 1) C 7- C 8-Mo 26 ( 0.38%) 0.0614* C 7 s( 7.04%)p13.15( 92.53%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2637 0.0289 0.0010 -0.0006 0.0003 0.0000 -0.4917 0.0059 0.0057 0.0024 0.2978 0.0366 -0.0025 0.0026 -0.7702 -0.0123 0.0029 -0.0007 0.0236 -0.0032 -0.0010 -0.0032 0.0077 -0.0005 0.0458 -0.0030 0.0003 0.0185 0.0056 -0.0007 -0.0103 -0.0060 -0.0013 0.0108 -0.0004 0.0145 0.0017 0.0047 0.0003 0.0156 -0.0008 -0.0089 -0.0024 0.0147 -0.0008 -0.0012 -0.0001 0.0026 -0.0008 0.0074 -0.0023 -0.0048 0.0009 0.0035 0.0076 0.0015 ( 28.52%) 0.5340* C 8 s( 5.46%)p17.23( 94.11%)d 0.06( 0.33%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2314 0.0327 0.0014 -0.0006 0.0002 0.0000 -0.6509 -0.0337 0.0036 -0.0027 0.2209 0.0153 -0.0037 -0.0006 -0.6835 -0.0017 0.0049 0.0020 0.0243 -0.0058 -0.0007 -0.0258 0.0012 -0.0006 0.0142 -0.0103 0.0002 -0.0262 -0.0027 -0.0012 0.0301 0.0071 -0.0009 0.0005 -0.0009 0.0261 0.0015 -0.0127 0.0004 0.0046 0.0009 0.0047 -0.0013 -0.0024 -0.0006 -0.0010 -0.0021 -0.0030 0.0014 -0.0056 -0.0021 0.0062 -0.0010 0.0021 -0.0045 -0.0072 ( 71.11%) 0.8433*Mo 26 s( 24.06%)p 0.01( 0.15%)d 3.14( 75.63%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 0.4900 0.0162 -0.0152 0.0075 0.0014 0.0002 0.0000 -0.0068 -0.0119 0.0006 -0.0042 0.0000 0.0259 0.0235 -0.0022 0.0046 0.0000 -0.0030 0.0014 -0.0039 0.0029 -0.2746 0.0017 0.0304 0.0066 0.4884 0.0408 0.0071 0.0004 -0.6099 -0.0420 -0.0117 -0.0001 -0.1078 0.0153 0.0058 -0.0017 -0.2275 0.0452 0.0050 0.0020 0.0128 0.0090 0.0010 -0.0103 0.0088 -0.0018 -0.0073 0.0092 -0.0008 -0.0153 0.0068 -0.0025 0.0081 0.0074 0.0013 -0.0025 0.0029 0.0003 0.0129 0.0094 -0.0024 -0.0049 -0.0015 0.0036 -0.0025 -0.0065 0.0024 -0.0005 -0.0015 -0.0109 -0.0020 -0.0059 -0.0005 -0.0058 -0.0013 -0.0018 0.0003 -0.0047 0.0002 112. (0.32310) 3C*( 1) C 1- C 5-Mo 26 ( 1.90%) 0.1379* C 1 s( 8.44%)p10.80( 91.11%)d 0.04( 0.35%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2891 0.0280 0.0015 -0.0005 -0.0001 0.0000 -0.2058 -0.0091 -0.0014 -0.0015 -0.0514 0.0317 0.0000 0.0025 0.9297 0.0243 -0.0075 -0.0003 0.0104 -0.0036 0.0008 0.0204 0.0087 0.0001 -0.0436 0.0006 0.0010 -0.0085 -0.0015 -0.0006 -0.0287 0.0084 -0.0006 -0.0138 -0.0020 0.0023 0.0011 0.0196 -0.0011 -0.0058 0.0007 -0.0085 0.0000 -0.0079 -0.0011 0.0125 0.0007 -0.0032 0.0022 -0.0008 -0.0004 -0.0048 0.0072 -0.0072 -0.0026 0.0026 ( 20.22%) -0.4496* C 5 s( 5.80%)p16.16( 93.73%)d 0.06( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 0.2396 -0.0238 -0.0019 -0.0008 0.0003 0.0000 0.0692 -0.0281 -0.0068 -0.0035 0.1148 -0.0140 0.0054 -0.0004 -0.9579 -0.0224 0.0077 -0.0004 -0.0099 0.0011 -0.0007 0.0389 0.0095 0.0001 0.0187 -0.0105 -0.0010 0.0011 -0.0065 0.0013 0.0369 -0.0044 0.0003 0.0118 0.0029 -0.0214 0.0004 -0.0135 0.0007 -0.0036 -0.0006 0.0004 0.0015 -0.0003 0.0003 0.0133 0.0009 0.0020 -0.0006 -0.0012 -0.0028 -0.0034 0.0010 -0.0116 -0.0020 0.0006 ( 77.88%) 0.8825*Mo 26 s( 48.29%)p 0.00( 0.16%)d 1.06( 51.32%) f 0.00( 0.19%)g 0.00( 0.04%) 0.0000 0.6941 0.0237 -0.0227 0.0076 0.0020 0.0001 0.0000 0.0039 0.0007 0.0038 -0.0030 0.0000 0.0264 0.0176 -0.0034 0.0055 0.0000 0.0059 0.0210 -0.0009 0.0046 0.1148 0.0053 0.0267 0.0057 0.1924 0.0130 0.0023 0.0043 0.4949 -0.0329 -0.0114 -0.0042 0.0640 0.0226 0.0016 -0.0015 0.4541 0.0700 0.0091 -0.0008 0.0242 0.0077 0.0020 -0.0223 0.0058 -0.0027 -0.0150 0.0176 -0.0011 -0.0002 0.0056 -0.0020 -0.0027 -0.0022 0.0010 -0.0030 -0.0009 0.0002 0.0091 0.0068 -0.0029 0.0153 -0.0021 -0.0005 0.0002 0.0031 0.0046 0.0056 0.0004 -0.0020 -0.0026 -0.0035 -0.0001 0.0019 -0.0019 -0.0054 0.0010 -0.0042 0.0016 113. (0.44399) 3C*( 1) C 2- C 3-Mo 26 ( 46.14%) 0.6793* C 2 s( 8.94%)p10.13( 90.56%)d 0.04( 0.40%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 -0.2964 0.0392 0.0003 -0.0009 0.0001 0.0000 -0.3083 -0.0338 0.0017 -0.0019 -0.1839 0.0044 0.0061 0.0027 0.8804 0.0175 -0.0022 0.0000 -0.0076 0.0002 0.0014 0.0580 -0.0007 0.0004 0.0009 -0.0128 0.0000 -0.0158 -0.0042 0.0008 -0.0116 0.0037 -0.0013 -0.0196 -0.0015 0.0009 0.0011 0.0055 0.0007 0.0166 -0.0011 -0.0068 -0.0018 0.0074 0.0008 -0.0050 0.0005 -0.0009 0.0029 0.0033 -0.0047 0.0031 -0.0078 0.0011 0.0055 0.0016 ( 0.44%) -0.0663* C 3 s( 7.95%)p11.52( 91.62%)d 0.04( 0.32%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2806 0.0280 0.0006 -0.0008 0.0000 0.0000 -0.2232 -0.0042 0.0061 0.0011 -0.3255 -0.0400 -0.0010 -0.0038 0.8710 0.0061 -0.0064 -0.0002 -0.0141 -0.0011 0.0016 0.0144 -0.0096 -0.0001 0.0496 0.0028 0.0004 0.0140 0.0015 0.0007 0.0061 0.0038 -0.0011 -0.0210 -0.0008 0.0086 0.0003 0.0086 0.0019 -0.0161 -0.0001 0.0072 -0.0019 -0.0047 -0.0014 -0.0029 -0.0001 -0.0014 0.0023 0.0005 0.0064 -0.0040 0.0067 0.0027 -0.0008 -0.0068 ( 53.42%) 0.7309*Mo 26 s( 10.71%)p 0.01( 0.08%)d 8.32( 89.09%) f 0.01( 0.10%)g 0.00( 0.03%) 0.0000 0.3268 0.0109 -0.0101 0.0080 0.0009 0.0002 0.0000 -0.0052 -0.0101 0.0013 -0.0049 0.0000 -0.0025 -0.0033 -0.0009 -0.0002 0.0000 0.0131 0.0203 0.0036 0.0012 0.0787 -0.0030 0.0034 -0.0011 -0.7457 0.0024 0.0014 0.0073 -0.4186 -0.0261 -0.0057 0.0019 -0.2698 -0.0067 0.0081 -0.0022 0.2768 0.0541 0.0082 -0.0006 0.0078 -0.0085 0.0010 -0.0172 -0.0032 -0.0025 -0.0122 0.0045 -0.0007 0.0139 0.0002 0.0003 0.0073 0.0052 0.0010 0.0088 0.0017 0.0000 -0.0046 0.0012 -0.0001 0.0059 -0.0035 -0.0117 -0.0009 -0.0090 0.0021 -0.0066 0.0004 0.0035 0.0010 -0.0010 -0.0016 -0.0004 -0.0005 0.0004 0.0010 0.0001 0.0000 114. (0.18526) 3C*( 1) C 6- C 9- C 10 ( 21.13%) 0.4597* C 6 s( 9.01%)p10.02( 90.29%)d 0.07( 0.60%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 -0.2975 0.0396 -0.0003 -0.0012 0.0004 0.0000 -0.3715 0.0136 -0.0027 0.0027 0.1862 0.0151 0.0101 0.0035 -0.8537 -0.0287 0.0019 -0.0002 -0.0068 0.0127 -0.0015 0.0033 0.0137 -0.0006 0.0236 0.0143 0.0027 0.0254 0.0060 0.0015 -0.0640 0.0074 -0.0012 -0.0094 0.0035 0.0178 0.0020 0.0042 -0.0006 0.0127 0.0015 -0.0021 -0.0021 -0.0165 0.0000 -0.0056 -0.0017 0.0001 -0.0048 -0.0016 0.0048 0.0049 -0.0044 -0.0008 -0.0045 0.0023 ( 31.05%) -0.5572* C 9 s( 5.55%)p16.92( 93.97%)d 0.07( 0.37%) f 0.02( 0.09%)g 0.00( 0.01%) 0.0000 0.2328 -0.0364 0.0012 0.0005 -0.0001 0.0001 0.6534 0.0296 -0.0007 0.0033 -0.0882 0.0054 -0.0034 -0.0005 0.7099 0.0037 -0.0046 -0.0028 0.0065 -0.0053 -0.0010 0.0353 -0.0039 0.0005 0.0211 -0.0054 -0.0005 0.0361 -0.0008 0.0022 -0.0175 -0.0166 0.0000 -0.0094 0.0018 -0.0173 -0.0030 -0.0036 0.0004 -0.0090 -0.0016 0.0186 -0.0005 0.0091 0.0002 0.0019 -0.0011 -0.0046 0.0031 -0.0035 -0.0026 0.0037 0.0007 -0.0004 0.0038 -0.0076 ( 47.82%) 0.6915* C 10 s( 7.11%)p13.00( 92.45%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2649 -0.0307 -0.0004 0.0005 -0.0004 0.0000 0.4939 0.0009 -0.0015 -0.0007 -0.0515 0.0244 0.0005 0.0030 0.8225 0.0270 -0.0052 0.0011 0.0233 0.0001 0.0000 0.0169 -0.0067 0.0008 0.0309 0.0012 -0.0006 0.0016 -0.0023 0.0003 0.0385 -0.0033 0.0008 0.0017 -0.0007 -0.0128 -0.0030 0.0175 -0.0008 -0.0054 -0.0002 0.0095 -0.0004 -0.0152 -0.0003 0.0069 0.0000 0.0033 -0.0025 -0.0004 0.0089 -0.0023 -0.0023 0.0024 -0.0054 0.0029 115. (0.37039) 3C*( 1) C 7- C 8-Mo 26 ( 58.17%) 0.7627* C 7 s( 7.04%)p13.15( 92.53%)d 0.05( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2637 -0.0289 -0.0010 0.0006 -0.0003 0.0000 0.4917 -0.0059 -0.0057 -0.0024 -0.2978 -0.0366 0.0025 -0.0026 0.7702 0.0123 -0.0029 0.0007 -0.0236 0.0032 0.0010 0.0032 -0.0077 0.0005 -0.0458 0.0030 -0.0003 -0.0185 -0.0056 0.0007 0.0103 0.0060 0.0013 -0.0108 0.0004 -0.0145 -0.0017 -0.0047 -0.0003 -0.0156 0.0008 0.0089 0.0024 -0.0147 0.0008 0.0012 0.0001 -0.0026 0.0008 -0.0074 0.0023 0.0048 -0.0009 -0.0035 -0.0076 -0.0015 ( 32.50%) -0.5701* C 8 s( 5.46%)p17.23( 94.11%)d 0.06( 0.33%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2314 -0.0327 -0.0014 0.0006 -0.0002 0.0000 0.6509 0.0337 -0.0036 0.0027 -0.2209 -0.0153 0.0037 0.0006 0.6835 0.0017 -0.0049 -0.0020 -0.0243 0.0058 0.0007 0.0258 -0.0012 0.0006 -0.0142 0.0103 -0.0002 0.0262 0.0027 0.0012 -0.0301 -0.0071 0.0009 -0.0005 0.0009 -0.0261 -0.0015 0.0127 -0.0004 -0.0046 -0.0009 -0.0047 0.0013 0.0024 0.0006 0.0010 0.0021 0.0030 -0.0014 0.0056 0.0021 -0.0062 0.0010 -0.0021 0.0045 0.0072 ( 9.33%) 0.3055*Mo 26 s( 24.06%)p 0.01( 0.15%)d 3.14( 75.63%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 -0.4900 -0.0162 0.0152 -0.0075 -0.0014 -0.0002 0.0000 0.0068 0.0119 -0.0006 0.0042 0.0000 -0.0259 -0.0235 0.0022 -0.0046 0.0000 0.0030 -0.0014 0.0039 -0.0029 0.2746 -0.0017 -0.0304 -0.0066 -0.4884 -0.0408 -0.0071 -0.0004 0.6099 0.0420 0.0117 0.0001 0.1078 -0.0153 -0.0058 0.0017 0.2275 -0.0452 -0.0050 -0.0020 -0.0128 -0.0090 -0.0010 0.0103 -0.0088 0.0018 0.0073 -0.0092 0.0008 0.0153 -0.0068 0.0025 -0.0081 -0.0074 -0.0013 0.0025 -0.0029 -0.0003 -0.0129 -0.0094 0.0024 0.0049 0.0015 -0.0036 0.0025 0.0065 -0.0024 0.0005 0.0015 0.0109 0.0020 0.0059 0.0005 0.0058 0.0013 0.0018 -0.0003 0.0047 -0.0002 116. (0.00364) RY ( 1) C 1 s( 0.14%)p99.99( 83.91%)d99.99( 14.43%) f 9.85( 1.42%)g 0.63( 0.09%) 0.0000 0.0149 -0.0115 0.0281 0.0064 -0.0160 -0.0004 -0.0104 -0.5879 -0.0188 -0.0035 -0.0256 0.6516 -0.0293 0.0012 -0.0227 -0.2569 -0.0176 -0.0078 0.0570 -0.0907 0.0013 0.0519 -0.1180 0.0039 -0.0215 0.0038 0.0099 0.2076 -0.2614 0.0001 -0.0602 -0.0240 -0.0009 0.0522 -0.0033 0.0304 -0.0152 0.0440 0.0138 0.0059 0.0038 0.0310 0.0023 -0.0717 -0.0005 -0.0366 0.0257 -0.0092 0.0044 -0.0049 0.0009 -0.0099 0.0145 0.0011 0.0040 0.0213 117. (0.00323) RY ( 2) C 1 s( 0.50%)p99.99( 87.87%)d17.10( 8.50%) f 6.18( 3.07%)g 0.15( 0.07%) 0.0000 0.0097 -0.0036 0.0690 0.0080 -0.0056 -0.0002 0.0416 0.6636 0.0706 0.0327 0.0034 0.5952 -0.0768 -0.0081 -0.0025 0.2603 -0.0496 0.0018 0.0780 -0.1435 -0.0161 0.0217 -0.0142 -0.0076 0.1603 -0.0163 0.0152 0.0883 -0.1433 0.0082 -0.0376 0.0331 -0.0133 -0.0031 0.0161 -0.0420 0.0081 -0.0179 0.0111 0.1154 -0.0211 0.0393 -0.0087 0.0791 -0.0308 0.0745 -0.0025 -0.0106 0.0015 -0.0020 -0.0091 -0.0015 0.0135 -0.0080 0.0161 0.0047 118. (0.00198) RY ( 3) C 1 s( 23.54%)p 1.98( 46.67%)d 1.16( 27.29%) f 0.10( 2.43%)g 0.00( 0.06%) 0.0000 0.0024 0.4848 0.0092 0.0113 0.0111 -0.0010 -0.0045 -0.2710 -0.0330 -0.0241 0.0022 -0.1554 -0.0729 0.0078 -0.0200 0.6001 -0.0328 0.0213 0.0046 -0.0712 0.0101 0.0434 -0.0437 -0.0045 0.3184 -0.0584 0.0130 0.1304 -0.1745 -0.0015 -0.2801 0.1798 -0.0266 0.0318 -0.0121 0.0585 -0.0133 -0.1089 0.0156 0.0407 -0.0001 0.0092 0.0014 -0.0491 0.0141 -0.0556 0.0061 0.0086 -0.0104 0.0110 -0.0077 0.0008 -0.0024 0.0127 0.0012 0.0083 119. (0.00090) RY ( 4) C 1 s( 26.29%)p 1.02( 26.80%)d 1.48( 38.90%) f 0.28( 7.31%)g 0.03( 0.71%) 0.0000 0.0039 0.4537 -0.2384 0.0005 -0.0116 0.0010 0.0109 0.1578 0.0222 0.0317 -0.0009 0.0226 0.0590 0.0212 -0.0335 -0.2619 0.4073 0.0377 0.0039 -0.0424 -0.0129 0.2893 -0.0798 0.0448 -0.3625 -0.1786 -0.0636 -0.0890 -0.0602 0.0022 -0.2940 0.1669 -0.0420 0.0079 -0.0505 -0.1196 0.0508 -0.0061 0.0254 -0.1084 0.0046 0.0703 -0.0274 0.0718 -0.0261 0.1693 -0.0309 0.0387 -0.0076 0.0283 0.0258 0.0076 -0.0175 0.0282 0.0521 0.0131 120. (0.00081) RY ( 5) C 1 s( 0.61%)p23.04( 13.99%)d99.99( 80.70%) f 7.38( 4.48%)g 0.36( 0.22%) 0.0000 -0.0118 0.0747 -0.0099 -0.0116 0.0107 -0.0002 -0.0067 0.0762 0.2914 0.0889 0.0030 -0.0176 0.1786 0.0469 0.0191 -0.0267 0.0410 0.0637 -0.1533 0.3146 -0.0765 -0.2529 -0.6557 -0.0396 0.1203 -0.1935 -0.0141 0.1617 0.0616 0.0365 -0.0814 -0.3050 -0.0068 0.0432 0.0072 0.0866 0.0131 0.0600 0.0315 -0.0563 -0.0396 0.1213 0.0659 0.0405 0.0356 -0.0628 -0.0049 -0.0114 -0.0202 -0.0104 0.0236 -0.0269 0.0078 0.0068 -0.0019 -0.0111 121. (0.00045) RY ( 6) C 1 s( 12.34%)p 1.51( 18.63%)d 4.45( 54.91%) f 1.10( 13.59%)g 0.04( 0.54%) 0.0000 -0.0143 0.3478 0.0255 0.0024 -0.0402 -0.0005 -0.0063 -0.0641 -0.0497 0.0917 0.0128 0.1259 -0.2218 -0.0394 0.0092 -0.3003 -0.1001 -0.0646 -0.2209 -0.0289 -0.0057 -0.1504 0.0190 0.0122 0.4542 0.0614 -0.0120 -0.4385 0.2631 0.0279 0.0348 -0.0478 -0.0178 0.0338 0.0146 -0.0406 0.0116 0.0115 -0.0342 0.1557 -0.0296 0.0567 0.0075 0.0144 -0.0200 0.3082 -0.0864 -0.0154 0.0268 -0.0227 -0.0103 0.0155 -0.0096 -0.0274 0.0179 -0.0486 122. (0.00041) RY ( 7) C 1 s( 2.34%)p 5.65( 13.24%)d 6.68( 15.64%) f28.47( 66.68%)g 0.90( 2.10%) 0.0000 -0.0019 0.1465 -0.0409 0.0098 -0.0139 0.0000 0.0143 0.1973 -0.0637 -0.1973 0.0093 0.1190 -0.1145 -0.0897 -0.0029 -0.0995 0.0070 -0.0700 -0.1119 0.3045 0.0858 -0.0530 0.0522 -0.0109 0.0193 0.0846 0.0047 -0.1332 -0.0546 -0.0297 -0.0808 0.0373 -0.0329 0.1187 -0.0395 0.0198 -0.0232 0.0031 -0.0085 -0.1983 0.0647 -0.1810 0.0488 -0.6301 0.1841 -0.3527 0.1272 -0.0132 -0.0013 0.0103 0.0027 0.0463 -0.0216 0.0375 -0.1094 0.0686 123. (0.00022) RY ( 8) C 1 s( 3.20%)p 5.80( 18.55%)d18.63( 59.58%) f 5.70( 18.22%)g 0.14( 0.44%) 0.0000 -0.0029 0.1500 0.0702 -0.0674 -0.0027 0.0011 -0.0015 0.0234 0.0444 -0.1831 -0.0106 -0.0041 0.3567 0.0411 0.0229 -0.0870 0.1087 -0.0228 -0.1947 -0.0331 0.0346 0.4139 0.0323 0.0563 0.3112 -0.0653 -0.0015 0.0938 -0.0938 -0.0081 0.5014 -0.0592 0.0808 -0.2771 0.0293 -0.0826 0.0354 -0.1894 0.0083 -0.0511 0.0365 0.1881 -0.0613 -0.0748 0.0473 -0.0980 0.0071 0.0359 0.0143 0.0194 0.0095 0.0150 0.0046 0.0018 -0.0378 0.0278 124. (0.00016) RY ( 9) C 1 s( 2.44%)p 4.96( 12.09%)d26.35( 64.29%) f 8.39( 20.47%)g 0.29( 0.71%) 0.0000 0.0019 0.1383 0.0334 -0.0631 0.0122 0.0051 -0.0014 0.0920 -0.1376 0.0184 -0.0067 -0.0734 0.1141 0.0038 0.0256 -0.2406 0.1125 0.0590 0.2214 -0.0357 0.0106 -0.5291 0.1946 -0.0197 0.1305 -0.2989 0.0112 0.2074 -0.2557 0.0269 0.1952 0.1420 -0.0186 0.0302 -0.0734 0.2619 -0.0169 -0.2139 0.0493 -0.1536 0.0294 -0.1569 0.0060 -0.0012 -0.0071 0.1736 -0.0459 0.0113 0.0049 0.0060 0.0493 0.0209 -0.0205 -0.0075 0.0428 0.0413 125. (0.00010) RY (10) C 1 s( 2.00%)p20.00( 40.05%)d24.51( 49.09%) f 3.82( 7.64%)g 0.61( 1.21%) 0.0000 0.0040 0.1357 0.0161 -0.0285 -0.0226 0.0007 -0.0155 -0.0603 0.4850 0.0544 -0.0038 0.1363 0.3578 -0.0142 -0.0226 0.0757 0.0221 0.0698 -0.2460 -0.0294 0.0295 -0.2761 0.4812 -0.0305 -0.1320 0.1678 0.0162 0.1115 0.1855 0.0560 -0.1444 0.0567 0.0000 -0.0674 0.0425 0.0584 -0.0455 0.1478 -0.0348 -0.0257 0.0331 0.1735 -0.0543 -0.0684 0.0340 0.0109 -0.0281 0.0188 0.0225 0.0027 0.0234 -0.0073 0.0216 -0.0612 -0.0705 -0.0385 126. (0.00009) RY (11) C 1 s( 13.70%)p 2.16( 29.60%)d 3.15( 43.12%) f 0.94( 12.85%)g 0.05( 0.72%) 127. (0.00005) RY (12) C 1 s( 6.66%)p 4.15( 27.64%)d 6.64( 44.22%) f 2.42( 16.13%)g 0.80( 5.35%) 128. (0.00004) RY (13) C 1 s( 1.94%)p22.37( 43.33%)d11.17( 21.62%) f16.53( 32.01%)g 0.57( 1.10%) 129. (0.00003) RY (14) C 1 s( 5.74%)p 4.20( 24.09%)d 7.39( 42.42%) f 3.75( 21.51%)g 1.09( 6.24%) 130. (0.00003) RY (15) C 1 s( 2.40%)p13.40( 32.12%)d10.68( 25.58%) f16.01( 38.35%)g 0.65( 1.55%) 131. (0.00002) RY (16) C 1 s( 2.42%)p14.53( 35.18%)d14.50( 35.11%) f10.31( 24.98%)g 0.96( 2.31%) 132. (0.00001) RY (17) C 1 s( 3.05%)p 4.79( 14.61%)d21.35( 65.15%) f 4.97( 15.17%)g 0.66( 2.01%) 133. (0.00001) RY (18) C 1 s( 5.06%)p 4.03( 20.42%)d 6.62( 33.51%) f 5.80( 29.35%)g 2.30( 11.66%) 134. (0.00001) RY (19) C 1 s( 1.94%)p 4.18( 8.11%)d10.55( 20.47%) f33.85( 65.69%)g 1.95( 3.79%) 135. (0.00001) RY (20) C 1 s( 10.56%)p 0.87( 9.21%)d 2.47( 26.04%) f 4.32( 45.60%)g 0.81( 8.59%) 136. (0.00001) RY (21) C 1 s( 6.68%)p 4.27( 28.57%)d 4.21( 28.12%) f 4.71( 31.45%)g 0.77( 5.17%) 137. (0.00000) RY (22) C 1 s( 26.36%)p 1.22( 32.25%)d 0.77( 20.33%) f 0.71( 18.60%)g 0.09( 2.45%) 138. (0.00001) RY (23) C 1 s( 13.14%)p 2.18( 28.70%)d 2.02( 26.56%) f 2.33( 30.56%)g 0.08( 1.04%) 139. (0.00000) RY (24) C 1 s( 4.58%)p 3.07( 14.08%)d 6.67( 30.55%) f 6.28( 28.76%)g 4.81( 22.02%) 140. (0.00000) RY (25) C 1 s( 10.32%)p 0.83( 8.58%)d 0.94( 9.70%) f 3.84( 39.59%)g 3.08( 31.82%) 141. (0.00000) RY (26) C 1 s( 34.85%)p 0.41( 14.24%)d 0.29( 10.22%) f 0.66( 23.13%)g 0.50( 17.56%) 142. (0.00000) RY (27) C 1 s( 7.69%)p 1.38( 10.60%)d 4.07( 31.29%) f 4.86( 37.34%)g 1.70( 13.09%) 143. (0.00000) RY (28) C 1 s( 7.15%)p 4.23( 30.22%)d 4.85( 34.65%) f 2.84( 20.27%)g 1.08( 7.71%) 144. (0.00000) RY (29) C 1 s( 4.72%)p 7.10( 33.56%)d 5.99( 28.30%) f 6.01( 28.37%)g 1.07( 5.05%) 145. (0.00000) RY (30) C 1 s( 4.00%)p 5.59( 22.36%)d12.58( 50.32%) f 3.32( 13.29%)g 2.51( 10.02%) 146. (0.00000) RY (31) C 1 s( 4.19%)p 0.46( 1.94%)d 7.71( 32.31%) f11.69( 48.97%)g 3.00( 12.59%) 147. (0.00000) RY (32) C 1 s( 3.40%)p 5.52( 18.75%)d12.50( 42.49%) f 8.63( 29.34%)g 1.77( 6.02%) 148. (0.00000) RY (33) C 1 s( 36.09%)p 0.03( 1.20%)d 0.71( 25.67%) f 0.72( 25.82%)g 0.31( 11.23%) 149. (0.00000) RY (34) C 1 s( 80.62%)p 0.01( 0.42%)d 0.07( 5.42%) f 0.06( 5.11%)g 0.10( 8.42%) 150. (0.00000) RY (35) C 1 s( 6.17%)p 0.29( 1.81%)d 2.19( 13.52%) f 5.23( 32.27%)g 7.49( 46.24%) 151. (0.00000) RY (36) C 1 s( 0.48%)p 1.07( 0.52%)d25.95( 12.58%) f99.99( 55.12%)g64.54( 31.30%) 152. (0.00000) RY (37) C 1 s( 0.86%)p 0.55( 0.48%)d24.62( 21.21%) f43.45( 37.43%)g46.45( 40.02%) 153. (0.00000) RY (38) C 1 s( 4.08%)p 0.18( 0.75%)d 2.07( 8.43%) f12.15( 49.52%)g 9.13( 37.22%) 154. (0.00000) RY (39) C 1 s( 3.38%)p 0.74( 2.51%)d 4.74( 15.99%) f19.43( 65.58%)g 3.71( 12.54%) 155. (0.00000) RY (40) C 1 s( 4.48%)p 0.66( 2.94%)d 2.11( 9.46%) f 3.72( 16.69%)g14.82( 66.42%) 156. (0.00000) RY (41) C 1 s( 17.23%)p 0.16( 2.69%)d 0.32( 5.52%) f 2.61( 44.92%)g 1.72( 29.64%) 157. (0.00000) RY (42) C 1 s( 9.07%)p 0.22( 1.99%)d 0.56( 5.10%) f 5.91( 53.60%)g 3.34( 30.25%) 158. (0.00000) RY (43) C 1 s( 3.03%)p 1.24( 3.75%)d 8.77( 26.57%) f 4.98( 15.10%)g17.02( 51.56%) 159. (0.00000) RY (44) C 1 s( 2.20%)p 0.36( 0.80%)d12.27( 27.00%) f15.58( 34.28%)g16.24( 35.73%) 160. (0.00000) RY (45) C 1 s( 3.71%)p 0.30( 1.10%)d 6.28( 23.31%) f 4.67( 17.34%)g14.70( 54.54%) 161. (0.00000) RY (46) C 1 s( 2.98%)p 0.83( 2.48%)d17.42( 51.86%) f 4.26( 12.68%)g10.08( 30.01%) 162. (0.00000) RY (47) C 1 s( 10.14%)p 0.67( 6.81%)d 1.97( 20.01%) f 1.99( 20.14%)g 4.23( 42.90%) 163. (0.00000) RY (48) C 1 s( 3.23%)p 0.82( 2.65%)d 7.16( 23.12%) f 7.82( 25.25%)g14.18( 45.76%) 164. (0.00000) RY (49) C 1 s( 24.67%)p 0.31( 7.68%)d 0.45( 11.01%) f 0.96( 23.71%)g 1.34( 32.94%) 165. (0.00000) RY (50) C 1 s( 19.95%)p 0.15( 2.90%)d 1.51( 30.13%) f 1.13( 22.54%)g 1.23( 24.49%) 166. (0.00000) RY (51) C 1 s( 6.90%)p 0.12( 0.85%)d 3.76( 25.97%) f 2.98( 20.60%)g 6.62( 45.68%) 167. (0.00000) RY (52) C 1 s( 7.04%)p 0.92( 6.49%)d 3.12( 21.97%) f 3.61( 25.43%)g 5.55( 39.07%) 168. (0.00349) RY ( 1) C 2 s( 1.52%)p47.72( 72.58%)d15.80( 24.03%) f 1.13( 1.71%)g 0.10( 0.16%) 0.0000 0.0157 0.1084 0.0488 0.0259 -0.0127 -0.0004 0.0282 -0.7781 0.1098 0.0168 0.0007 0.0463 -0.0208 -0.0066 -0.0187 -0.3227 0.0099 -0.0037 0.0194 -0.0440 -0.0015 -0.0040 0.0469 -0.0070 0.1300 -0.0789 0.0125 -0.2426 0.3498 -0.0031 -0.1686 0.0438 -0.0280 0.0256 -0.0099 -0.0918 -0.0067 0.0072 -0.0047 -0.0286 0.0243 0.0223 -0.0015 0.0747 0.0131 0.0075 -0.0111 -0.0029 0.0157 0.0016 -0.0005 -0.0050 -0.0080 -0.0093 0.0339 -0.0022 169. (0.00265) RY ( 2) C 2 s( 0.01%)p99.99( 94.02%)d99.99( 1.56%) f99.99( 4.39%)g 2.09( 0.03%) 0.0000 0.0033 0.0111 -0.0015 0.0010 -0.0012 0.0000 0.0058 -0.0040 0.0064 0.0022 0.0442 0.9407 0.1260 0.0506 0.0013 0.1830 0.0333 0.0122 -0.0810 0.0693 0.0273 0.0001 0.0203 0.0068 0.0424 -0.0141 0.0005 -0.0161 0.0250 0.0013 0.0092 0.0051 -0.0011 -0.0570 0.0163 -0.0179 0.0009 -0.0912 0.0294 -0.0780 0.0219 -0.0185 -0.0017 -0.0196 0.0049 -0.1497 0.0332 0.0003 -0.0032 0.0018 0.0004 -0.0055 -0.0070 0.0002 -0.0006 -0.0140 170. (0.00116) RY ( 3) C 2 s( 15.54%)p 2.78( 43.18%)d 2.38( 36.90%) f 0.28( 4.32%)g 0.00( 0.07%) 0.0000 -0.0012 0.3932 -0.0066 -0.0043 0.0255 0.0004 -0.0077 -0.0135 -0.0703 -0.0339 0.0026 -0.1298 0.0446 -0.0100 -0.0096 0.6157 -0.1473 0.0752 0.0910 -0.0283 0.0044 -0.3822 0.1028 -0.0135 0.1591 -0.1462 0.0072 -0.0525 0.1346 0.0184 -0.3109 0.1949 -0.0218 0.0693 -0.0265 0.0767 -0.0016 0.0173 0.0115 -0.1700 0.0134 -0.0168 -0.0011 -0.0048 -0.0072 0.0439 -0.0001 -0.0088 -0.0062 -0.0020 0.0153 0.0061 -0.0088 -0.0101 0.0095 0.0005 171. (0.00105) RY ( 4) C 2 s( 2.22%)p 5.63( 12.49%)d35.44( 78.57%) f 2.94( 6.52%)g 0.09( 0.21%) 0.0000 0.0070 0.1344 -0.0634 -0.0032 -0.0029 0.0003 0.0110 0.0184 -0.0243 -0.0045 -0.0024 0.0095 0.2910 0.1223 -0.0289 -0.0221 0.1476 0.0315 0.2540 -0.0369 0.0744 0.2315 -0.0203 0.0336 -0.2860 -0.7008 -0.0142 -0.0862 -0.1556 -0.0064 -0.1313 -0.1922 -0.0115 0.0426 -0.0360 -0.0673 -0.0177 0.0306 -0.0224 0.0980 -0.0242 -0.1707 -0.0649 -0.0213 -0.0165 0.1074 0.0000 -0.0111 0.0015 -0.0041 -0.0106 0.0198 0.0205 -0.0301 -0.0074 -0.0058 172. (0.00072) RY ( 5) C 2 s( 29.38%)p 0.35( 10.15%)d 1.82( 53.61%) f 0.22( 6.46%)g 0.01( 0.40%) 0.0000 0.0034 0.4865 -0.2381 0.0202 -0.0071 0.0002 0.0161 0.1392 -0.0657 -0.0258 0.0116 -0.0357 -0.1407 -0.0309 -0.0500 0.0095 0.2284 -0.0031 -0.2113 0.0147 -0.0318 0.5897 0.0284 0.0523 0.1434 0.1010 0.0212 -0.0514 0.0407 -0.0205 -0.1246 0.2945 -0.0275 0.0283 -0.0346 -0.0772 0.0429 -0.1126 0.0376 0.1583 -0.0022 0.0469 0.0041 0.0397 0.0189 -0.1069 0.0081 -0.0107 -0.0213 0.0018 0.0216 -0.0192 0.0421 -0.0133 0.0141 -0.0203 173. (0.00046) RY ( 6) C 2 s( 0.12%)p99.99( 13.75%)d99.99( 15.48%) f99.99( 68.89%)g14.07( 1.75%) 0.0000 -0.0011 0.0328 -0.0131 0.0004 0.0004 0.0001 -0.0002 0.0286 -0.0125 -0.0163 0.0150 0.2205 -0.0977 -0.2718 0.0039 0.0187 -0.0119 -0.0595 0.0648 -0.3301 -0.1045 0.0080 -0.0631 -0.0203 0.1363 -0.0292 -0.0349 0.0477 -0.0310 -0.0190 0.0420 0.0048 -0.0142 0.0930 -0.0346 0.1068 -0.0194 0.1097 -0.0411 0.2638 -0.0899 0.2509 -0.0535 0.1628 -0.0438 0.6579 -0.2209 -0.0150 -0.0073 -0.0202 0.0094 -0.0157 0.0408 0.0405 0.0332 0.1100 174. (0.00036) RY ( 7) C 2 s( 17.87%)p 1.12( 19.98%)d 3.09( 55.27%) f 0.37( 6.59%)g 0.02( 0.29%) 0.0000 -0.0152 0.4187 -0.0477 -0.0057 -0.0290 0.0017 -0.0153 0.0384 0.0138 -0.0081 -0.0023 0.0893 -0.0001 0.0165 0.0104 -0.4321 0.0507 -0.0137 0.0344 0.0366 -0.0022 -0.3427 -0.0802 0.0604 -0.0693 0.0265 0.0116 0.6112 -0.0965 -0.0495 -0.1777 -0.0090 -0.0028 0.0336 0.0123 0.0238 0.0542 -0.0131 0.0103 -0.0358 -0.0448 -0.0859 -0.0008 0.2128 -0.0379 -0.0516 0.0283 0.0137 -0.0141 0.0039 -0.0235 -0.0002 0.0226 0.0160 -0.0337 -0.0065 175. (0.00027) RY ( 8) C 2 s( 2.51%)p10.13( 25.39%)d21.67( 54.31%) f 6.55( 16.42%)g 0.55( 1.38%) 0.0000 -0.0080 -0.0891 0.1112 0.0684 0.0013 -0.0038 -0.0143 -0.2017 0.3226 0.1200 0.0068 -0.0423 0.0199 -0.0026 -0.0307 0.2963 -0.0472 -0.0360 -0.0354 0.0737 0.0111 0.1963 -0.2676 -0.0617 0.0686 0.1653 0.0174 0.2327 -0.3265 0.0277 -0.4166 -0.2262 -0.0612 -0.0315 0.0686 -0.3722 -0.0082 0.0139 -0.0484 0.0567 0.0208 0.1111 0.0060 0.0181 -0.0204 0.0200 -0.0144 0.0213 0.0695 0.0053 -0.0350 -0.0012 -0.0615 0.0363 -0.0333 0.0323 176. (0.00012) RY ( 9) C 2 s( 0.17%)p18.61( 3.24%)d99.99( 89.22%) f41.50( 7.23%)g 0.75( 0.13%) 0.0000 0.0027 0.0373 0.0170 -0.0060 -0.0042 0.0004 0.0013 -0.0173 -0.0322 0.0140 -0.0227 0.0687 0.1193 0.0901 -0.0066 0.0404 0.0298 0.0272 0.4045 -0.0916 0.0252 0.0648 0.0424 -0.0104 -0.5698 0.5329 -0.0649 -0.1084 0.1006 -0.0216 -0.1811 0.2113 -0.0285 -0.0055 -0.0158 -0.0360 0.0085 0.0071 -0.0272 0.0514 -0.0079 -0.1935 0.0560 -0.0075 0.0113 0.1582 -0.0373 -0.0093 -0.0076 0.0058 -0.0092 -0.0058 0.0069 -0.0014 0.0116 0.0287 177. (0.00010) RY (10) C 2 s( 9.32%)p 3.39( 31.58%)d 2.68( 24.99%) f 3.35( 31.23%)g 0.31( 2.88%) 0.0000 0.0293 0.1504 0.2196 -0.1323 -0.0631 -0.0012 0.0213 -0.3984 -0.2730 0.0490 0.0068 -0.0402 -0.0073 -0.0517 -0.0225 0.2285 -0.0124 0.1498 -0.0829 0.0344 0.0033 0.1273 -0.0198 -0.0269 -0.0882 0.0541 -0.0002 0.0701 -0.3376 -0.0818 0.2910 -0.0147 0.0581 -0.1698 0.0046 0.3092 -0.1175 0.0442 -0.0077 0.1375 0.0245 -0.1669 0.0795 0.2900 -0.1630 -0.0862 0.0156 -0.0240 -0.0810 0.0650 -0.0571 0.0598 -0.0150 0.0624 -0.0774 0.0218 178. (0.00007) RY (11) C 2 s( 10.77%)p 1.13( 12.18%)d 4.54( 48.89%) f 2.35( 25.29%)g 0.27( 2.87%) 179. (0.00006) RY (12) C 2 s( 1.23%)p15.83( 19.52%)d16.99( 20.94%) f46.17( 56.91%)g 1.14( 1.40%) 180. (0.00005) RY (13) C 2 s( 14.16%)p 0.39( 5.48%)d 4.49( 63.56%) f 0.98( 13.85%)g 0.21( 2.94%) 181. (0.00003) RY (14) C 2 s( 9.22%)p 4.99( 45.99%)d 0.90( 8.33%) f 3.58( 33.03%)g 0.37( 3.42%) 182. (0.00002) RY (15) C 2 s( 4.87%)p10.02( 48.82%)d 1.61( 7.86%) f 7.23( 35.25%)g 0.66( 3.20%) 183. (0.00002) RY (16) C 2 s( 2.52%)p20.91( 52.69%)d 6.65( 16.75%) f10.29( 25.92%)g 0.84( 2.12%) 184. (0.00001) RY (17) C 2 s( 1.36%)p27.72( 37.73%)d38.55( 52.47%) f 5.32( 7.24%)g 0.88( 1.19%) 185. (0.00001) RY (18) C 2 s( 26.22%)p 0.86( 22.56%)d 0.91( 23.89%) f 0.93( 24.35%)g 0.11( 2.99%) 186. (0.00001) RY (19) C 2 s( 4.64%)p 3.82( 17.75%)d10.72( 49.75%) f 4.71( 21.88%)g 1.29( 5.98%) 187. (0.00001) RY (20) C 2 s( 8.70%)p 1.14( 9.89%)d 4.76( 41.41%) f 4.40( 38.30%)g 0.20( 1.70%) 188. (0.00001) RY (21) C 2 s( 2.76%)p14.57( 40.25%)d 6.69( 18.49%) f12.49( 34.49%)g 1.45( 4.01%) 189. (0.00000) RY (22) C 2 s( 15.93%)p 0.51( 8.13%)d 2.16( 34.46%) f 1.95( 31.10%)g 0.65( 10.37%) 190. (0.00000) RY (23) C 2 s( 3.43%)p 2.72( 9.32%)d15.46( 53.05%) f 8.08( 27.74%)g 1.88( 6.46%) 191. (0.00000) RY (24) C 2 s( 0.64%)p 3.45( 2.20%)d11.08( 7.06%) f18.87( 12.03%)g99.99( 78.08%) 192. (0.00000) RY (25) C 2 s( 7.91%)p 2.87( 22.72%)d 2.32( 18.39%) f 3.11( 24.61%)g 3.33( 26.36%) 193. (0.00000) RY (26) C 2 s( 0.45%)p 3.31( 1.50%)d99.99( 53.95%) f81.94( 37.25%)g15.05( 6.84%) 194. (0.00000) RY (27) C 2 s( 20.54%)p 0.29( 5.88%)d 0.98( 20.13%) f 0.66( 13.47%)g 1.95( 39.98%) 195. (0.00000) RY (28) C 2 s( 21.44%)p 1.56( 33.53%)d 0.91( 19.56%) f 0.82( 17.57%)g 0.37( 7.90%) 196. (0.00000) RY (29) C 2 s( 2.80%)p 8.34( 23.39%)d15.87( 44.49%) f 5.53( 15.49%)g 4.93( 13.82%) 197. (0.00000) RY (30) C 2 s( 31.26%)p 0.41( 12.67%)d 0.70( 21.94%) f 0.70( 22.03%)g 0.39( 12.10%) 198. (0.00000) RY (31) C 2 s( 0.39%)p20.17( 7.90%)d69.57( 27.25%) f99.99( 56.93%)g19.24( 7.54%) 199. (0.00000) RY (32) C 2 s( 10.00%)p 4.27( 42.64%)d 2.00( 20.01%) f 2.23( 22.32%)g 0.50( 5.04%) 200. (0.00000) RY (33) C 2 s( 6.85%)p 2.83( 19.40%)d 3.78( 25.90%) f 6.70( 45.89%)g 0.29( 1.96%) 201. (0.00000) RY (34) C 2 s( 65.82%)p 0.01( 0.38%)d 0.03( 2.17%) f 0.22( 14.39%)g 0.26( 17.25%) 202. (0.00000) RY (35) C 2 s( 25.18%)p 0.11( 2.78%)d 0.38( 9.68%) f 0.94( 23.69%)g 1.54( 38.68%) 203. (0.00000) RY (36) C 2 s( 5.93%)p 0.21( 1.24%)d 2.34( 13.87%) f 5.90( 34.93%)g 7.43( 44.04%) 204. (0.00000) RY (37) C 2 s( 2.56%)p 1.45( 3.71%)d 2.42( 6.20%) f15.35( 39.32%)g18.82( 48.21%) 205. (0.00000) RY (38) C 2 s( 1.87%)p 0.27( 0.50%)d 5.02( 9.37%) f25.45( 47.53%)g21.81( 40.73%) 206. (0.00000) RY (39) C 2 s( 13.39%)p 0.22( 2.99%)d 1.08( 14.48%) f 3.57( 47.79%)g 1.59( 21.35%) 207. (0.00000) RY (40) C 2 s( 5.06%)p 0.36( 1.84%)d 2.47( 12.47%) f10.02( 50.65%)g 5.93( 29.99%) 208. (0.00000) RY (41) C 2 s( 0.96%)p 1.17( 1.12%)d20.19( 19.45%) f31.76( 30.59%)g49.71( 47.88%) 209. (0.00000) RY (42) C 2 s( 2.90%)p 0.48( 1.39%)d 8.96( 25.99%) f11.91( 34.55%)g12.12( 35.16%) 210. (0.00000) RY (43) C 2 s( 3.90%)p 0.24( 0.95%)d 5.13( 20.00%) f 6.49( 25.31%)g12.78( 49.83%) 211. (0.00000) RY (44) C 2 s( 1.13%)p 0.32( 0.36%)d23.97( 27.07%) f40.19( 45.39%)g23.06( 26.04%) 212. (0.00000) RY (45) C 2 s( 1.14%)p 0.72( 0.82%)d 7.67( 8.71%) f33.53( 38.07%)g45.14( 51.26%) 213. (0.00000) RY (46) C 2 s( 2.75%)p 0.89( 2.44%)d15.78( 43.38%) f12.32( 33.87%)g 6.39( 17.56%) 214. (0.00000) RY (47) C 2 s( 9.52%)p 1.99( 18.98%)d 1.85( 17.60%) f 2.32( 22.11%)g 3.34( 31.79%) 215. (0.00000) RY (48) C 2 s( 42.43%)p 0.15( 6.52%)d 0.29( 12.31%) f 0.68( 28.95%)g 0.23( 9.78%) 216. (0.00000) RY (49) C 2 s( 0.38%)p23.05( 8.69%)d99.99( 50.17%) f54.48( 20.54%)g53.62( 20.22%) 217. (0.00000) RY (50) C 2 s( 2.56%)p 1.01( 2.59%)d 9.87( 25.28%) f18.28( 46.83%)g 8.87( 22.73%) 218. (0.00000) RY (51) C 2 s( 10.96%)p 1.20( 13.19%)d 3.43( 37.57%) f 0.79( 8.70%)g 2.70( 29.58%) 219. (0.00000) RY (52) C 2 s( 14.95%)p 0.13( 2.01%)d 0.73( 10.92%) f 0.66( 9.83%)g 4.17( 62.30%) 220. (0.00362) RY ( 1) C 3 s( 0.16%)p99.99( 83.36%)d91.29( 15.05%) f 8.03( 1.32%)g 0.57( 0.09%) 0.0000 0.0150 -0.0133 0.0308 0.0050 -0.0165 -0.0004 -0.0058 -0.5948 -0.0108 -0.0005 0.0328 -0.4758 0.0381 0.0030 -0.0090 -0.5007 -0.0027 -0.0067 -0.1103 0.1780 -0.0015 0.0075 -0.0517 0.0019 -0.0277 0.1170 -0.0061 0.1915 -0.2198 -0.0034 -0.0622 0.0231 -0.0079 -0.0159 -0.0116 0.0103 -0.0125 -0.0636 0.0005 -0.0138 -0.0146 -0.0062 0.0114 -0.0691 -0.0052 0.0521 -0.0213 0.0010 0.0072 0.0065 0.0048 -0.0046 0.0004 -0.0056 -0.0057 -0.0273 221. (0.00319) RY ( 2) C 3 s( 0.47%)p99.99( 88.58%)d16.15( 7.57%) f 7.07( 3.31%)g 0.15( 0.07%) 0.0000 0.0109 -0.0178 0.0645 0.0074 -0.0056 -0.0002 0.0431 0.6469 0.0718 0.0311 -0.0052 -0.6733 0.0751 0.0053 -0.0075 -0.0008 -0.0142 0.0057 -0.0854 0.1497 0.0158 -0.0093 0.0697 0.0002 -0.1076 0.0290 -0.0045 0.0003 -0.0950 0.0052 -0.1247 0.0583 -0.0192 -0.0165 0.0051 -0.0759 0.0196 -0.0196 -0.0089 0.0412 -0.0172 -0.0426 0.0192 0.0366 -0.0204 -0.1407 0.0220 0.0018 -0.0018 0.0111 0.0025 -0.0065 0.0038 -0.0017 0.0156 -0.0158 222. (0.00209) RY ( 3) C 3 s( 19.51%)p 2.60( 50.64%)d 1.40( 27.34%) f 0.13( 2.46%)g 0.00( 0.05%) 0.0000 0.0015 0.4403 0.0287 0.0154 0.0104 -0.0010 -0.0052 -0.2837 -0.0605 -0.0367 0.0047 -0.1112 0.1235 -0.0017 -0.0121 0.6264 -0.0230 0.0117 -0.0493 0.1114 -0.0139 0.0412 0.0769 -0.0077 -0.0978 -0.0531 0.0035 0.0078 -0.1684 -0.0122 -0.4150 0.1913 -0.0296 0.0806 -0.0118 0.0419 -0.0095 -0.0311 0.0049 0.1098 -0.0024 -0.0208 0.0107 -0.0454 0.0104 0.0159 -0.0114 0.0017 -0.0044 0.0041 -0.0168 0.0086 -0.0042 0.0069 -0.0029 -0.0057 223. (0.00105) RY ( 4) C 3 s( 22.05%)p 0.99( 21.92%)d 2.31( 50.99%) f 0.21( 4.57%)g 0.02( 0.47%) 0.0000 0.0017 0.4322 -0.1834 -0.0086 0.0000 0.0004 0.0083 0.1478 0.1653 0.0719 0.0111 0.0400 -0.2684 -0.0749 -0.0315 -0.1176 0.2620 0.0444 0.0440 0.0303 0.0414 0.1073 -0.4968 0.0307 0.3170 0.2398 0.0548 0.1694 0.0808 0.0579 -0.1406 0.1634 0.0009 0.0554 -0.0515 -0.0936 0.0150 0.0299 0.0228 -0.1434 -0.0215 -0.0708 -0.0439 -0.0185 0.0011 -0.0015 0.0354 -0.0215 -0.0050 -0.0250 -0.0250 0.0310 -0.0038 -0.0432 0.0078 -0.0038 224. (0.00073) RY ( 5) C 3 s( 7.34%)p 2.02( 14.80%)d 9.51( 69.81%) f 1.03( 7.59%)g 0.06( 0.46%) 0.0000 0.0050 0.2266 -0.1464 0.0160 -0.0183 0.0008 0.0076 0.0376 -0.2052 -0.0360 0.0101 0.0591 0.0438 0.0373 -0.0160 -0.1906 0.2437 -0.0142 -0.2347 0.0844 -0.0664 0.3147 0.4953 0.0394 0.3608 -0.2694 0.0436 -0.0919 -0.1020 -0.0180 0.1494 0.1987 0.0060 0.0361 -0.0172 -0.1033 0.0690 0.0607 0.0103 -0.0640 0.0558 0.1233 0.0437 0.0366 -0.0188 -0.1704 0.0055 -0.0048 -0.0021 -0.0136 -0.0416 -0.0002 -0.0407 -0.0085 0.0284 -0.0088 225. (0.00045) RY ( 6) C 3 s( 12.51%)p 1.30( 16.28%)d 4.46( 55.77%) f 1.19( 14.86%)g 0.05( 0.57%) 0.0000 -0.0155 0.3495 0.0338 -0.0031 -0.0393 -0.0006 -0.0088 -0.0644 -0.0056 0.0987 -0.0156 0.0278 0.1917 0.0458 0.0074 -0.3267 -0.0234 -0.0410 0.3485 -0.0072 0.0021 -0.0484 -0.0042 0.0156 -0.2389 -0.0575 -0.0040 -0.5140 0.2265 0.0337 -0.2090 -0.1134 -0.0056 -0.0234 0.0375 -0.0776 0.0102 -0.0326 -0.0058 -0.0471 0.0296 -0.0387 -0.0063 -0.0688 -0.0055 -0.3478 0.0954 0.0168 0.0046 0.0078 0.0230 -0.0334 0.0066 -0.0001 0.0477 0.0376 226. (0.00041) RY ( 7) C 3 s( 2.94%)p 4.94( 14.50%)d 5.38( 15.78%) f22.00( 64.61%)g 0.74( 2.17%) 0.0000 -0.0025 0.1673 -0.0323 0.0061 -0.0171 0.0001 0.0142 0.1880 -0.0689 -0.2032 -0.0094 -0.0809 0.1029 0.1347 -0.0046 -0.1589 0.0409 -0.0325 0.1420 -0.2749 -0.0750 0.0448 -0.0555 -0.0391 0.0253 -0.0528 0.0289 -0.1476 -0.1369 -0.0377 -0.0508 -0.0265 -0.0190 0.0940 -0.0208 0.2159 -0.0718 -0.0701 0.0282 0.0818 -0.0163 0.3926 -0.0978 -0.3609 0.1033 0.4881 -0.1719 -0.0081 -0.0213 0.0164 0.0079 0.0052 -0.0634 0.0548 -0.1175 0.0032 227. (0.00020) RY ( 8) C 3 s( 2.19%)p 8.77( 19.23%)d26.12( 57.25%) f 9.54( 20.91%)g 0.19( 0.42%) 0.0000 -0.0029 0.1258 0.0428 -0.0652 0.0015 0.0010 -0.0033 0.0170 0.0288 -0.1792 0.0027 0.0537 -0.3859 -0.0366 0.0235 -0.0533 -0.0321 -0.0392 -0.0265 0.0544 -0.0474 0.4659 0.0493 0.0408 -0.5439 0.1153 -0.0511 -0.0346 -0.0535 -0.0298 0.1545 0.0023 0.0701 0.0080 0.0001 -0.2054 0.0626 0.3111 -0.0503 0.1818 0.0027 -0.0993 0.0062 -0.0796 0.0462 0.1054 -0.0334 -0.0104 -0.0026 -0.0360 -0.0305 -0.0054 -0.0100 0.0217 -0.0323 -0.0134 228. (0.00015) RY ( 9) C 3 s( 2.65%)p 5.37( 14.20%)d23.32( 61.72%) f 7.79( 20.62%)g 0.31( 0.81%) 0.0000 0.0015 0.1442 0.0406 -0.0613 0.0154 0.0050 -0.0002 0.1170 -0.1827 -0.0091 -0.0049 0.1794 -0.1502 -0.0304 0.0287 -0.1779 0.0726 0.0383 -0.0408 0.0129 -0.0155 -0.5515 0.1998 -0.0180 -0.2703 0.2007 -0.0018 0.1021 -0.1726 0.0154 0.0448 0.3388 -0.0130 0.2640 -0.0923 0.2963 -0.0106 0.1488 0.0204 -0.0745 0.0375 -0.0340 -0.0001 0.0074 0.0029 -0.0939 0.0231 -0.0234 -0.0064 -0.0310 0.0000 0.0130 -0.0630 -0.0327 0.0172 -0.0322 229. (0.00010) RY (10) C 3 s( 13.03%)p 2.95( 38.41%)d 2.36( 30.75%) f 1.24( 16.16%)g 0.13( 1.65%) 230. (0.00009) RY (11) C 3 s( 3.90%)p 6.63( 25.86%)d16.02( 62.44%) f 1.89( 7.39%)g 0.11( 0.42%) 231. (0.00005) RY (12) C 3 s( 7.72%)p 3.18( 24.55%)d 5.84( 45.10%) f 2.26( 17.45%)g 0.67( 5.18%) 232. (0.00004) RY (13) C 3 s( 2.33%)p22.82( 53.06%)d 7.98( 18.56%) f10.84( 25.22%)g 0.36( 0.84%) 233. (0.00003) RY (14) C 3 s( 5.66%)p 4.48( 25.36%)d 7.65( 43.28%) f 3.50( 19.81%)g 1.04( 5.89%) 234. (0.00003) RY (15) C 3 s( 0.81%)p36.69( 29.89%)d32.59( 26.55%) f50.28( 40.95%)g 2.21( 1.80%) 235. (0.00002) RY (16) C 3 s( 2.96%)p10.41( 30.79%)d13.28( 39.27%) f 7.84( 23.20%)g 1.28( 3.78%) 236. (0.00001) RY (17) C 3 s( 3.02%)p 6.12( 18.48%)d17.61( 53.21%) f 6.09( 18.39%)g 2.28( 6.90%) 237. (0.00001) RY (18) C 3 s( 3.53%)p 5.42( 19.11%)d12.96( 45.73%) f 7.61( 26.86%)g 1.35( 4.77%) 238. (0.00001) RY (19) C 3 s( 4.65%)p 1.26( 5.87%)d 3.96( 18.44%) f13.72( 63.83%)g 1.55( 7.21%) 239. (0.00001) RY (20) C 3 s( 10.09%)p 1.40( 14.11%)d 2.98( 30.08%) f 4.10( 41.37%)g 0.43( 4.35%) 240. (0.00000) RY (21) C 3 s( 21.84%)p 0.06( 1.29%)d 0.76( 16.62%) f 1.14( 24.90%)g 1.62( 35.35%) 241. (0.00000) RY (22) C 3 s( 6.51%)p 1.75( 11.37%)d 4.10( 26.70%) f 3.65( 23.75%)g 4.87( 31.67%) 242. (0.00000) RY (23) C 3 s( 18.38%)p 0.42( 7.74%)d 0.42( 7.73%) f 1.69( 31.09%)g 1.91( 35.06%) 243. (0.00000) RY (24) C 3 s( 18.84%)p 1.09( 20.55%)d 0.52( 9.81%) f 1.68( 31.72%)g 1.01( 19.07%) 244. (0.00000) RY (25) C 3 s( 8.43%)p 0.76( 6.42%)d 4.03( 33.95%) f 3.99( 33.60%)g 2.09( 17.60%) 245. (0.00000) RY (26) C 3 s( 7.11%)p 4.36( 31.03%)d 4.55( 32.35%) f 3.25( 23.11%)g 0.90( 6.39%) 246. (0.00000) RY (27) C 3 s( 5.20%)p 5.84( 30.34%)d 5.37( 27.91%) f 5.60( 29.14%)g 1.42( 7.41%) 247. (0.00000) RY (28) C 3 s( 3.79%)p 6.52( 24.71%)d14.44( 54.75%) f 2.67( 10.12%)g 1.74( 6.62%) 248. (0.00000) RY (29) C 3 s( 7.02%)p 2.01( 14.09%)d 3.94( 27.65%) f 5.61( 39.38%)g 1.69( 11.86%) 249. (0.00000) RY (30) C 3 s( 2.02%)p 4.57( 9.25%)d21.05( 42.56%) f18.84( 38.09%)g 4.00( 8.08%) 250. (0.00000) RY (31) C 3 s( 32.13%)p 0.05( 1.53%)d 0.85( 27.29%) f 0.84( 27.04%)g 0.37( 12.02%) 251. (0.00000) RY (32) C 3 s( 12.90%)p 3.24( 41.85%)d 1.22( 15.78%) f 2.13( 27.47%)g 0.16( 2.01%) 252. (0.00001) RY (33) C 3 s( 21.49%)p 1.02( 21.83%)d 1.36( 29.31%) f 1.20( 25.78%)g 0.07( 1.59%) 253. (0.00001) RY (34) C 3 s( 12.28%)p 1.76( 21.65%)d 2.35( 28.84%) f 2.53( 31.11%)g 0.50( 6.12%) 254. (0.00000) RY (35) C 3 s( 75.97%)p 0.01( 0.38%)d 0.08( 5.91%) f 0.10( 7.38%)g 0.14( 10.36%) 255. (0.00000) RY (36) C 3 s( 4.69%)p 0.32( 1.49%)d 3.39( 15.89%) f 7.46( 34.98%)g 9.16( 42.95%) 256. (0.00000) RY (37) C 3 s( 0.33%)p 1.76( 0.59%)d33.99( 11.33%) f99.99( 67.09%)g62.00( 20.66%) 257. (0.00000) RY (38) C 3 s( 1.67%)p 0.62( 1.04%)d13.73( 22.90%) f25.61( 42.72%)g18.99( 31.68%) 258. (0.00000) RY (39) C 3 s( 7.55%)p 0.12( 0.88%)d 1.43( 10.77%) f 5.25( 39.64%)g 5.45( 41.16%) 259. (0.00000) RY (40) C 3 s( 3.87%)p 0.57( 2.22%)d 4.18( 16.19%) f12.71( 49.19%)g 7.37( 28.53%) 260. (0.00000) RY (41) C 3 s( 1.92%)p 0.49( 0.95%)d 4.23( 8.12%) f20.51( 39.43%)g25.79( 49.57%) 261. (0.00000) RY (42) C 3 s( 13.85%)p 0.39( 5.47%)d 0.73( 10.16%) f 2.26( 31.27%)g 2.83( 39.25%) 262. (0.00000) RY (43) C 3 s( 10.56%)p 0.15( 1.60%)d 0.72( 7.64%) f 2.74( 28.95%)g 4.85( 51.25%) 263. (0.00000) RY (44) C 3 s( 2.30%)p 1.89( 4.34%)d11.11( 25.50%) f12.49( 28.67%)g17.07( 39.19%) 264. (0.00000) RY (45) C 3 s( 3.33%)p 0.41( 1.37%)d 7.56( 25.14%) f 9.95( 33.12%)g11.13( 37.04%) 265. (0.00000) RY (46) C 3 s( 8.98%)p 0.17( 1.51%)d 2.25( 20.20%) f 2.26( 20.28%)g 5.46( 49.04%) 266. (0.00000) RY (47) C 3 s( 2.69%)p 0.25( 0.68%)d16.21( 43.54%) f 9.07( 24.36%)g10.70( 28.74%) 267. (0.00000) RY (48) C 3 s( 8.60%)p 0.61( 5.27%)d 1.90( 16.33%) f 3.20( 27.57%)g 4.91( 42.23%) 268. (0.00000) RY (49) C 3 s( 6.78%)p 0.56( 3.80%)d 3.59( 24.37%) f 4.11( 27.85%)g 5.49( 37.21%) 269. (0.00000) RY (50) C 3 s( 11.03%)p 0.90( 9.88%)d 1.77( 19.57%) f 1.23( 13.55%)g 4.17( 45.97%) 270. (0.00000) RY (51) C 3 s( 15.49%)p 0.19( 2.88%)d 3.20( 49.61%) f 1.36( 21.06%)g 0.71( 10.96%) 271. (0.00000) RY (52) C 3 s( 15.17%)p 0.25( 3.78%)d 0.67( 10.18%) f 1.68( 25.45%)g 2.99( 45.43%) 272. (0.00422) RY ( 1) C 4 s( 0.46%)p99.99( 86.16%)d26.03( 11.95%) f 3.02( 1.39%)g 0.11( 0.05%) 0.0000 0.0135 0.0376 0.0539 0.0008 0.0093 -0.0005 0.0049 0.8973 -0.1747 -0.0070 0.0395 0.0765 0.0052 0.0197 -0.0107 0.1318 0.0214 -0.0109 0.1252 -0.2445 -0.0087 0.1293 -0.0255 0.0056 0.0525 -0.0492 0.0056 0.0442 -0.0035 0.0022 -0.1222 0.0635 -0.0188 0.0004 0.0072 -0.0033 0.0116 -0.0404 0.0009 -0.0176 -0.0014 0.0926 -0.0218 -0.0123 0.0134 0.0475 0.0089 -0.0032 -0.0037 0.0021 -0.0011 -0.0052 -0.0102 -0.0022 -0.0146 -0.0108 273. (0.00373) RY ( 2) C 4 s( 2.24%)p38.07( 85.20%)d 4.71( 10.54%) f 0.88( 1.97%)g 0.03( 0.06%) 0.0000 0.0132 0.1433 0.0400 -0.0020 0.0092 -0.0004 -0.0329 0.0246 0.0047 -0.0159 -0.0078 -0.8781 0.0071 -0.0106 -0.0263 -0.2774 -0.0318 -0.0066 0.1088 -0.1911 -0.0065 0.0488 -0.0961 0.0099 0.0357 -0.1271 0.0017 -0.1011 0.1013 0.0065 -0.0828 -0.0190 -0.0062 0.0699 -0.0193 0.0337 0.0049 0.0247 -0.0177 0.0108 0.0028 -0.0236 0.0131 0.1009 -0.0150 -0.0265 0.0193 -0.0020 -0.0015 0.0055 -0.0010 0.0011 -0.0104 0.0064 -0.0202 0.0021 274. (0.00220) RY ( 3) C 4 s( 41.30%)p 0.94( 38.78%)d 0.46( 19.18%) f 0.02( 0.70%)g 0.00( 0.05%) 0.0000 0.0013 0.6423 -0.0159 -0.0104 -0.0072 -0.0003 0.0084 -0.1985 -0.0118 0.0091 0.0080 -0.0281 0.0141 -0.0134 -0.0208 0.5882 0.0003 0.0211 -0.0668 0.0022 -0.0053 0.1377 -0.0541 -0.0027 0.1061 -0.1228 0.0195 0.0106 0.0145 -0.0014 -0.3410 0.1464 -0.0242 0.0537 -0.0107 -0.0427 0.0022 -0.0269 0.0132 0.0031 0.0015 0.0285 0.0007 0.0158 -0.0082 0.0044 -0.0106 -0.0008 -0.0037 -0.0065 0.0089 -0.0018 0.0066 0.0148 0.0036 -0.0060 275. (0.00108) RY ( 4) C 4 s( 0.09%)p99.99( 68.66%)d99.99( 26.27%) f54.19( 4.84%)g 1.55( 0.14%) 0.0000 0.0029 0.0275 -0.0106 -0.0022 -0.0030 -0.0006 -0.0054 0.0860 0.7444 0.0558 0.0055 0.0485 0.2333 0.0232 0.0047 0.1633 -0.1836 0.0651 0.1894 -0.1403 -0.0020 0.0357 -0.2411 0.0164 -0.1427 -0.0471 -0.0486 -0.2497 0.0746 -0.0655 0.1590 -0.1570 0.0186 -0.0656 0.0195 0.0206 0.0246 0.0327 -0.0097 0.0527 0.0160 0.0702 -0.0120 -0.1778 0.0422 -0.0018 -0.0038 -0.0052 0.0009 0.0066 -0.0119 0.0033 -0.0173 -0.0171 -0.0171 -0.0166 276. (0.00081) RY ( 5) C 4 s( 2.50%)p12.95( 32.41%)d23.94( 59.91%) f 1.98( 4.95%)g 0.09( 0.23%) 0.0000 -0.0086 0.1547 0.0251 0.0196 -0.0026 0.0016 0.0083 0.1106 -0.0428 0.0346 -0.0041 0.1063 0.3755 0.0916 0.0013 -0.3033 0.2358 -0.0206 -0.2569 0.3601 -0.0056 -0.1153 -0.2712 -0.0564 -0.0876 -0.4414 0.0382 -0.0093 -0.0270 -0.0418 -0.1938 -0.2629 -0.0136 0.0631 -0.0032 0.0217 0.0309 -0.1244 0.0315 0.1067 0.0537 0.0868 -0.0097 -0.0308 -0.0049 0.0549 -0.0412 -0.0037 -0.0076 0.0069 -0.0093 -0.0018 0.0101 0.0196 0.0372 -0.0152 277. (0.00059) RY ( 6) C 4 s( 21.31%)p 1.33( 28.26%)d 1.83( 39.04%) f 0.51( 10.91%)g 0.02( 0.48%) 0.0000 0.0041 0.4117 -0.2079 0.0001 0.0203 0.0016 -0.0062 0.0280 0.2135 0.0302 0.0095 0.1397 -0.0368 0.0044 -0.0223 -0.4342 0.1506 0.0507 -0.0085 -0.2132 0.0141 -0.2911 -0.0435 0.0002 0.2997 0.2876 0.0318 0.1140 -0.0504 0.0008 0.0142 0.2620 -0.0131 -0.0006 -0.0359 -0.0729 0.0144 -0.1367 0.0513 0.0329 -0.0233 -0.0516 -0.0226 -0.1525 0.0646 0.2206 0.0062 0.0064 0.0357 -0.0033 0.0092 0.0101 0.0034 0.0224 -0.0258 -0.0457 278. (0.00045) RY ( 7) C 4 s( 2.07%)p 7.25( 15.01%)d 9.46( 19.57%) f29.79( 61.64%)g 0.83( 1.71%) 0.0000 0.0015 0.1267 -0.0674 0.0092 -0.0044 0.0018 0.0052 0.1208 0.1540 -0.1398 0.0147 0.2054 -0.1172 -0.1665 -0.0018 -0.0699 -0.0315 -0.0501 0.0188 0.0557 0.0496 -0.1271 -0.0701 0.0158 0.0718 -0.0958 -0.0341 -0.0794 0.3678 0.0851 0.0442 -0.0358 -0.0301 0.0623 -0.0394 -0.0298 0.0204 0.0147 -0.0124 -0.0138 0.0218 -0.3648 0.0998 0.6087 -0.1845 -0.2303 0.0897 -0.0145 0.0109 -0.0182 0.0159 0.0228 0.0146 0.0469 -0.0597 0.0984 279. (0.00033) RY ( 8) C 4 s( 12.42%)p 0.71( 8.79%)d 5.71( 70.96%) f 0.59( 7.32%)g 0.04( 0.51%) 0.0000 -0.0123 0.3398 0.0632 0.0487 0.0465 0.0004 0.0054 0.1327 0.0830 -0.0730 -0.0088 -0.0182 -0.0747 -0.0210 0.0246 -0.1884 -0.1058 -0.0662 -0.4244 0.1176 0.0550 0.4264 0.2022 0.0337 -0.4078 0.2891 0.0095 -0.0523 -0.0084 0.0009 0.1739 -0.0593 0.0476 -0.0852 0.0380 -0.0100 -0.0393 0.0906 -0.0037 0.0793 -0.0522 0.0450 0.0031 0.1129 -0.0312 0.1650 -0.0513 0.0149 0.0030 0.0273 0.0029 0.0275 0.0341 -0.0342 0.0174 0.0269 280. (0.00024) RY ( 9) C 4 s( 3.33%)p15.14( 50.42%)d11.79( 39.27%) f 1.88( 6.26%)g 0.22( 0.72%) 0.0000 0.0029 -0.0718 0.1657 -0.0201 -0.0167 -0.0006 -0.0004 0.0280 0.1234 -0.1021 -0.0011 -0.0874 0.6412 -0.1028 -0.0115 0.0859 0.1886 -0.0725 -0.1493 -0.0273 -0.0241 -0.0031 0.4619 -0.0017 0.3072 0.1059 0.0331 -0.1081 -0.0741 0.0763 0.0899 0.1275 0.0407 -0.0303 0.0265 -0.0263 -0.0410 -0.0768 0.0279 -0.0172 -0.0664 0.0628 0.0048 0.1396 -0.0452 -0.1417 0.0405 0.0069 0.0028 0.0061 0.0380 -0.0236 0.0160 -0.0062 -0.0121 0.0684 281. (0.00012) RY (10) C 4 s( 1.00%)p39.60( 39.42%)d45.99( 45.78%) f12.74( 12.68%)g 1.13( 1.13%) 0.0000 -0.0099 0.0836 -0.0501 -0.0176 0.0060 0.0013 0.0128 0.0411 -0.0150 0.0542 -0.0027 0.0213 0.2370 0.1040 -0.0196 -0.0884 -0.5503 -0.1033 0.1528 0.0965 0.0325 -0.3420 0.2554 0.0496 -0.2383 0.1463 -0.0910 0.1071 -0.0222 -0.0361 -0.3718 0.0027 -0.0376 0.0918 0.0340 0.2651 -0.0528 -0.0151 -0.0318 -0.1864 0.0272 -0.0080 0.0121 0.0712 0.0137 0.0413 0.0160 -0.0150 -0.0205 0.0295 -0.0184 -0.0350 -0.0037 -0.0421 0.0757 0.0262 282. (0.00009) RY (11) C 4 s( 13.89%)p 1.34( 18.67%)d 3.56( 49.42%) f 1.20( 16.61%)g 0.10( 1.41%) 283. (0.00008) RY (12) C 4 s( 11.38%)p 0.59( 6.72%)d 6.15( 69.98%) f 0.73( 8.33%)g 0.32( 3.59%) 284. (0.00006) RY (13) C 4 s( 5.98%)p 2.53( 15.15%)d 5.76( 34.46%) f 6.95( 41.61%)g 0.47( 2.79%) 285. (0.00005) RY (14) C 4 s( 30.81%)p 0.98( 30.31%)d 0.99( 30.57%) f 0.23( 6.97%)g 0.04( 1.34%) 286. (0.00003) RY (15) C 4 s( 5.12%)p 0.26( 1.32%)d 4.48( 22.96%) f13.07( 66.89%)g 0.73( 3.72%) 287. (0.00002) RY (16) C 4 s( 15.89%)p 1.25( 19.87%)d 2.91( 46.21%) f 1.11( 17.65%)g 0.02( 0.38%) 288. (0.00002) RY (17) C 4 s( 12.58%)p 1.40( 17.65%)d 2.71( 34.08%) f 2.50( 31.51%)g 0.33( 4.18%) 289. (0.00001) RY (18) C 4 s( 2.22%)p 7.47( 16.61%)d23.54( 52.35%) f12.02( 26.73%)g 0.93( 2.08%) 290. (0.00001) RY (19) C 4 s( 10.83%)p 0.94( 10.20%)d 1.33( 14.40%) f 5.22( 56.56%)g 0.74( 8.01%) 291. (0.00001) RY (20) C 4 s( 2.76%)p 6.82( 18.79%)d11.31( 31.18%) f16.50( 45.50%)g 0.64( 1.76%) 292. (0.00001) RY (21) C 4 s( 8.06%)p 1.26( 10.16%)d 5.62( 45.31%) f 2.88( 23.20%)g 1.65( 13.27%) 293. (0.00001) RY (22) C 4 s( 2.62%)p 8.98( 23.51%)d17.14( 44.91%) f 8.99( 23.55%)g 2.06( 5.41%) 294. (0.00000) RY (23) C 4 s( 1.99%)p 7.35( 14.64%)d18.73( 37.28%) f 7.85( 15.63%)g15.30( 30.46%) 295. (0.00000) RY (24) C 4 s( 21.84%)p 0.22( 4.73%)d 0.49( 10.59%) f 1.18( 25.73%)g 1.70( 37.10%) 296. (0.00000) RY (25) C 4 s( 6.61%)p 2.21( 14.57%)d 2.51( 16.56%) f 6.02( 39.80%)g 3.40( 22.47%) 297. (0.00000) RY (26) C 4 s( 0.55%)p28.35( 15.70%)d61.16( 33.87%) f56.06( 31.05%)g33.97( 18.82%) 298. (0.00000) RY (27) C 4 s( 1.41%)p15.07( 21.26%)d17.76( 25.07%) f23.14( 32.66%)g13.89( 19.60%) 299. (0.00000) RY (28) C 4 s( 4.35%)p 8.13( 35.36%)d 5.26( 22.89%) f 2.89( 12.58%)g 5.71( 24.82%) 300. (0.00000) RY (29) C 4 s( 0.73%)p39.79( 29.23%)d53.98( 39.66%) f33.30( 24.47%)g 8.05( 5.91%) 301. (0.00000) RY (30) C 4 s( 2.71%)p 4.16( 11.26%)d 8.95( 24.21%) f18.99( 51.37%)g 3.86( 10.45%) 302. (0.00000) RY (31) C 4 s( 2.88%)p 3.79( 10.91%)d14.12( 40.62%) f12.54( 36.07%)g 3.31( 9.52%) 303. (0.00000) RY (32) C 4 s( 3.65%)p 3.10( 11.29%)d10.12( 36.88%) f12.47( 45.44%)g 0.75( 2.75%) 304. (0.00000) RY (33) C 4 s( 2.77%)p 4.67( 12.95%)d17.07( 47.35%) f11.49( 31.89%)g 1.81( 5.03%) 305. (0.00000) RY (34) C 4 s( 6.24%)p 0.10( 0.60%)d 1.49( 9.30%) f 7.04( 43.93%)g 6.40( 39.93%) 306. (0.00000) RY (35) C 4 s( 13.09%)p 0.05( 0.63%)d 0.59( 7.69%) f 2.13( 27.90%)g 3.87( 50.69%) 307. (0.00000) RY (36) C 4 s( 2.19%)p 0.48( 1.06%)d 3.89( 8.54%) f21.26( 46.62%)g18.97( 41.60%) 308. (0.00000) RY (37) C 4 s( 3.61%)p 0.20( 0.71%)d 1.68( 6.08%) f19.09( 68.85%)g 5.75( 20.75%) 309. (0.00000) RY (38) C 4 s( 7.34%)p 0.05( 0.37%)d 0.24( 1.77%) f 5.48( 40.27%)g 6.85( 50.26%) 310. (0.00000) RY (39) C 4 s( 8.90%)p 0.29( 2.58%)d 2.48( 22.10%) f 3.43( 30.56%)g 4.03( 35.86%) 311. (0.00000) RY (40) C 4 s( 2.01%)p 0.96( 1.93%)d 3.62( 7.28%) f19.71( 39.65%)g24.41( 49.12%) 312. (0.00000) RY (41) C 4 s( 4.73%)p 0.42( 2.00%)d 1.41( 6.68%) f10.36( 49.00%)g 7.95( 37.59%) 313. (0.00000) RY (42) C 4 s( 7.47%)p 0.55( 4.14%)d 4.07( 30.40%) f 3.74( 27.95%)g 4.02( 30.04%) 314. (0.00000) RY (43) C 4 s( 12.79%)p 0.30( 3.86%)d 2.89( 36.97%) f 1.16( 14.81%)g 2.47( 31.57%) 315. (0.00000) RY (44) C 4 s( 1.85%)p 2.65( 4.90%)d15.88( 29.36%) f11.72( 21.67%)g22.84( 42.22%) 316. (0.00000) RY (45) C 4 s( 20.20%)p 0.17( 3.47%)d 0.59( 11.88%) f 1.91( 38.65%)g 1.28( 25.79%) 317. (0.00000) RY (46) C 4 s( 8.11%)p 1.03( 8.33%)d 3.30( 26.74%) f 1.35( 10.95%)g 5.66( 45.87%) 318. (0.00000) RY (47) C 4 s( 9.75%)p 0.57( 5.59%)d 2.10( 20.46%) f 4.88( 47.58%)g 1.71( 16.62%) 319. (0.00000) RY (48) C 4 s( 25.39%)p 0.10( 2.47%)d 0.62( 15.85%) f 0.85( 21.64%)g 1.36( 34.65%) 320. (0.00000) RY (49) C 4 s( 8.24%)p 0.06( 0.52%)d 4.14( 34.13%) f 1.78( 14.68%)g 5.15( 42.43%) 321. (0.00000) RY (50) C 4 s( 8.56%)p 0.92( 7.84%)d 5.03( 43.06%) f 1.68( 14.34%)g 3.06( 26.20%) 322. (0.00000) RY (51) C 4 s( 12.95%)p 1.97( 25.51%)d 1.87( 24.24%) f 0.80( 10.33%)g 2.08( 26.96%) 323. (0.00000) RY (52) C 4 s( 78.51%)p 0.00( 0.22%)d 0.04( 3.51%) f 0.08( 5.91%)g 0.15( 11.84%) 324. (0.00434) RY ( 1) C 5 s( 0.30%)p99.99( 86.24%)d40.29( 11.91%) f 5.09( 1.51%)g 0.16( 0.05%) 0.0000 0.0119 0.0174 0.0493 0.0006 0.0092 -0.0005 0.0032 0.8678 -0.1881 -0.0085 -0.0331 -0.2598 0.0094 -0.0136 -0.0215 0.0595 0.0254 -0.0186 -0.1816 0.2189 0.0041 0.0561 0.0877 0.0087 0.0236 -0.0372 0.0073 0.0244 0.0264 0.0050 -0.1362 0.0716 -0.0182 0.0444 0.0034 -0.0515 0.0196 0.0398 -0.0060 -0.0264 -0.0081 -0.0434 0.0034 -0.0679 0.0194 -0.0256 -0.0110 -0.0028 0.0052 0.0007 0.0057 0.0065 0.0069 0.0072 -0.0051 0.0150 325. (0.00372) RY ( 2) C 5 s( 2.51%)p33.28( 83.60%)d 4.76( 11.95%) f 0.75( 1.87%)g 0.02( 0.06%) 0.0000 0.0141 0.1506 0.0463 -0.0026 0.0093 -0.0004 -0.0311 0.1626 -0.0067 -0.0154 0.0189 0.8899 0.0063 0.0134 -0.0228 0.1201 -0.0281 -0.0021 -0.1136 0.2021 0.0020 0.0079 -0.0011 0.0122 0.0661 0.0527 -0.0004 -0.1216 0.1782 0.0073 -0.0894 0.0612 -0.0087 0.0141 0.0043 0.0146 0.0025 -0.0711 0.0230 -0.0230 0.0058 -0.0571 -0.0038 0.0898 -0.0226 -0.0010 -0.0176 -0.0045 0.0020 0.0024 0.0003 0.0074 -0.0034 0.0105 -0.0171 0.0109 326. (0.00233) RY ( 3) C 5 s( 42.20%)p 0.89( 37.38%)d 0.46( 19.62%) f 0.02( 0.75%)g 0.00( 0.05%) 0.0000 0.0016 0.6493 -0.0164 -0.0097 -0.0071 -0.0003 0.0085 -0.2015 -0.0237 0.0109 0.0005 -0.2075 -0.0228 0.0035 -0.0218 0.5365 0.0047 0.0244 0.0136 0.0107 0.0068 0.1560 -0.0436 -0.0030 0.1311 -0.0176 0.0015 0.0285 0.0337 -0.0031 -0.3394 0.1845 -0.0306 0.0499 -0.0183 -0.0605 0.0029 -0.0256 0.0017 -0.0059 0.0024 -0.0019 0.0020 0.0041 -0.0039 -0.0097 0.0121 0.0045 -0.0014 -0.0006 -0.0025 -0.0012 0.0047 -0.0199 -0.0057 0.0024 327. (0.00127) RY ( 4) C 5 s( 0.55%)p99.99( 56.08%)d71.10( 38.99%) f 7.81( 4.28%)g 0.18( 0.10%) 0.0000 0.0028 0.0732 0.0004 0.0092 -0.0055 0.0000 0.0000 0.1439 0.6022 0.0607 -0.0051 -0.1168 -0.3223 -0.0790 -0.0110 0.0027 -0.2225 0.0201 -0.0182 0.0709 0.0210 -0.0002 -0.3254 -0.0059 0.1742 0.3635 0.0428 -0.1598 0.2178 -0.0562 0.1892 -0.0237 0.0374 -0.0374 -0.0087 -0.0102 0.0266 -0.0223 -0.0356 0.0785 0.0306 -0.0227 -0.0346 -0.1715 0.0191 -0.0124 -0.0056 -0.0001 -0.0038 0.0156 -0.0033 0.0062 0.0042 0.0127 0.0133 0.0179 328. (0.00103) RY ( 5) C 5 s( 0.34%)p99.99( 39.81%)d99.99( 55.84%) f10.89( 3.73%)g 0.82( 0.28%) 0.0000 -0.0057 0.0459 0.0301 0.0194 -0.0017 0.0014 0.0114 0.0520 -0.4271 -0.0016 0.0057 0.0549 -0.2678 -0.0402 -0.0075 -0.3065 0.1953 -0.0658 0.2782 -0.2865 0.0313 0.0414 -0.2857 -0.0502 0.1051 0.4447 -0.0123 0.1641 0.1082 -0.0228 -0.1945 0.1540 -0.0489 0.1101 -0.0438 -0.0286 0.0175 -0.0579 -0.0265 0.0496 0.0407 -0.0779 -0.0071 0.0139 -0.0255 -0.0817 0.0192 0.0083 -0.0054 0.0163 -0.0253 0.0045 0.0054 -0.0333 0.0211 -0.0142 329. (0.00061) RY ( 6) C 5 s( 23.06%)p 1.46( 33.67%)d 1.37( 31.47%) f 0.49( 11.35%)g 0.02( 0.45%) 0.0000 0.0024 0.4341 -0.2044 0.0038 0.0188 0.0020 -0.0060 0.0520 0.2274 0.0356 0.0012 0.0552 -0.0701 -0.0411 -0.0238 -0.4978 0.1482 0.0316 0.1512 0.1903 -0.0082 -0.2939 -0.0232 -0.0194 -0.1838 -0.2813 -0.0114 0.0327 -0.1456 -0.0164 -0.1773 0.0145 -0.0312 0.1103 -0.0560 0.0127 0.0166 0.0522 0.0161 0.0208 -0.0296 0.1569 -0.0207 -0.1553 0.0628 -0.2008 -0.0013 0.0014 0.0078 -0.0052 -0.0162 -0.0373 0.0068 -0.0130 -0.0151 0.0486 330. (0.00045) RY ( 7) C 5 s( 1.89%)p 7.61( 14.39%)d 9.99( 18.89%) f33.37( 63.09%)g 0.92( 1.73%) 0.0000 0.0028 0.1176 -0.0701 0.0109 -0.0059 0.0018 0.0033 0.0985 0.1347 -0.1209 -0.0127 -0.1688 0.1423 0.1830 -0.0107 -0.1321 0.0281 0.0273 0.0340 -0.0783 -0.0672 -0.1642 -0.0773 -0.0133 -0.0158 -0.0518 0.0138 -0.0878 0.3529 0.0903 -0.0029 -0.0151 -0.0138 0.0101 -0.0110 0.0904 -0.0107 -0.0934 0.0416 0.0409 0.0020 -0.0262 0.0100 0.7442 -0.2294 0.0391 -0.0391 0.0095 -0.0063 0.0132 0.0086 -0.0057 -0.0555 0.0030 -0.1040 -0.0546 331. (0.00033) RY ( 8) C 5 s( 12.62%)p 0.75( 9.42%)d 5.58( 70.43%) f 0.56( 7.02%)g 0.04( 0.51%) 0.0000 -0.0134 0.3428 0.0641 0.0438 0.0495 0.0002 0.0069 0.1510 0.0599 -0.0746 -0.0032 0.0841 0.0912 0.0590 0.0263 -0.1845 -0.0818 -0.0441 0.2097 -0.1894 -0.0618 0.5938 0.1195 0.0075 0.1150 -0.0991 -0.0400 0.1462 -0.1041 -0.0200 0.3834 -0.2208 0.0249 -0.1135 0.0342 -0.0531 -0.0283 0.0356 -0.0157 -0.0478 -0.0167 -0.0769 0.0365 0.0605 -0.0117 -0.1802 0.0703 -0.0244 -0.0302 -0.0169 -0.0064 -0.0235 -0.0091 0.0203 0.0168 -0.0441 332. (0.00026) RY ( 9) C 5 s( 2.52%)p20.73( 52.19%)d15.35( 38.64%) f 2.41( 6.05%)g 0.24( 0.60%) 0.0000 0.0029 -0.0720 0.1393 -0.0197 -0.0135 -0.0003 0.0005 0.0558 0.0862 -0.0930 0.0041 0.0329 -0.6835 0.1358 -0.0090 0.0910 -0.0860 -0.0112 0.2023 -0.1537 0.0130 0.0548 0.3663 0.0067 -0.2773 -0.1396 -0.0791 -0.2254 -0.1030 0.0432 -0.1333 0.0261 -0.0081 0.0530 0.0078 -0.0781 -0.0185 0.0549 0.0062 0.0870 -0.0762 -0.1015 0.0549 0.1228 -0.0360 0.0706 0.0103 -0.0216 0.0120 -0.0260 0.0198 0.0042 -0.0133 -0.0036 -0.0336 -0.0550 333. (0.00014) RY (10) C 5 s( 0.47%)p63.28( 30.02%)d99.99( 61.00%) f16.29( 7.73%)g 1.64( 0.78%) 0.0000 -0.0090 0.0678 -0.0006 -0.0081 -0.0003 0.0015 0.0095 0.0377 -0.0258 0.0572 0.0099 0.0250 -0.0796 -0.0607 -0.0118 -0.0762 -0.5041 -0.1549 -0.0143 -0.2096 -0.0396 -0.3823 0.2593 0.0034 0.5039 -0.0792 0.0803 0.2475 -0.1007 0.0083 -0.0921 -0.0608 0.0228 0.0918 0.0276 0.1597 -0.0488 -0.0456 -0.0148 -0.1653 0.0148 -0.0901 0.0075 0.0249 0.0024 0.0362 -0.0157 -0.0229 0.0121 0.0085 -0.0021 0.0301 0.0119 -0.0051 0.0567 -0.0526 334. (0.00010) RY (11) C 5 s( 16.73%)p 1.73( 29.02%)d 2.17( 36.28%) f 1.04( 17.32%)g 0.04( 0.65%) 0.0000 -0.0010 0.0436 0.4025 0.0309 -0.0489 0.0035 -0.0135 -0.0916 0.0187 0.0091 -0.0032 -0.0497 -0.2158 -0.0550 0.0268 -0.0854 0.4687 -0.0376 -0.1414 0.1404 0.0151 -0.1178 0.1973 -0.0815 0.4345 -0.1341 -0.0113 0.0486 0.0639 0.0288 0.2084 0.0753 -0.0126 -0.1754 -0.0412 -0.2211 0.0112 -0.2265 0.0394 0.0516 -0.0185 0.1772 -0.0239 0.0409 -0.0054 0.0401 0.0240 -0.0026 -0.0026 -0.0155 -0.0087 -0.0055 0.0117 0.0076 -0.0482 0.0600 335. (0.00008) RY (12) C 5 s( 10.48%)p 0.62( 6.52%)d 6.70( 70.22%) f 0.78( 8.18%)g 0.44( 4.61%) 336. (0.00006) RY (13) C 5 s( 5.41%)p 3.02( 16.32%)d 6.22( 33.64%) f 7.78( 42.11%)g 0.47( 2.52%) 337. (0.00004) RY (14) C 5 s( 28.80%)p 1.04( 30.05%)d 1.07( 30.90%) f 0.30( 8.76%)g 0.05( 1.49%) 338. (0.00003) RY (15) C 5 s( 1.77%)p 2.30( 4.07%)d16.10( 28.53%) f34.93( 61.91%)g 2.09( 3.71%) 339. (0.00002) RY (16) C 5 s( 17.00%)p 1.06( 17.99%)d 2.60( 44.14%) f 1.20( 20.43%)g 0.03( 0.44%) 340. (0.00002) RY (17) C 5 s( 19.15%)p 0.97( 18.62%)d 1.48( 28.28%) f 1.61( 30.87%)g 0.16( 3.08%) 341. (0.00001) RY (18) C 5 s( 1.59%)p11.94( 18.99%)d29.10( 46.27%) f19.74( 31.39%)g 1.11( 1.76%) 342. (0.00001) RY (19) C 5 s( 2.31%)p 2.22( 5.13%)d 4.39( 10.12%) f34.22( 78.91%)g 1.53( 3.54%) 343. (0.00001) RY (20) C 5 s( 9.04%)p 2.54( 22.96%)d 3.70( 33.47%) f 3.00( 27.14%)g 0.82( 7.40%) 344. (0.00001) RY (21) C 5 s( 5.39%)p 1.37( 7.38%)d 9.52( 51.32%) f 4.25( 22.91%)g 2.41( 13.00%) 345. (0.00001) RY (22) C 5 s( 6.65%)p 4.22( 28.07%)d 6.09( 40.49%) f 2.76( 18.36%)g 0.97( 6.44%) 346. (0.00000) RY (23) C 5 s( 2.67%)p 3.35( 8.92%)d17.47( 46.55%) f14.06( 37.47%)g 1.65( 4.39%) 347. (0.00000) RY (24) C 5 s( 21.51%)p 0.24( 5.09%)d 0.86( 18.44%) f 0.98( 21.16%)g 1.57( 33.79%) 348. (0.00000) RY (25) C 5 s( 3.02%)p 1.43( 4.31%)d10.62( 32.08%) f 9.75( 29.47%)g10.30( 31.12%) 349. (0.00000) RY (26) C 5 s( 2.04%)p 8.18( 16.66%)d12.51( 25.48%) f16.37( 33.34%)g11.04( 22.48%) 350. (0.00000) RY (27) C 5 s( 0.98%)p16.46( 16.13%)d29.50( 28.91%) f42.25( 41.40%)g12.85( 12.59%) 351. (0.00000) RY (28) C 5 s( 1.94%)p15.34( 29.72%)d14.10( 27.31%) f10.91( 21.14%)g10.27( 19.89%) 352. (0.00000) RY (29) C 5 s( 7.84%)p 5.01( 39.27%)d 2.17( 17.04%) f 1.95( 15.30%)g 2.62( 20.55%) 353. (0.00000) RY (30) C 5 s( 1.47%)p18.64( 27.36%)d30.80( 45.19%) f13.43( 19.71%)g 4.27( 6.27%) 354. (0.00000) RY (31) C 5 s( 2.79%)p 4.13( 11.52%)d 9.07( 25.28%) f17.42( 48.54%)g 4.26( 11.87%) 355. (0.00000) RY (32) C 5 s( 1.76%)p 5.42( 9.52%)d18.75( 32.94%) f24.97( 43.87%)g 6.79( 11.92%) 356. (0.00000) RY (33) C 5 s( 3.95%)p 3.12( 12.32%)d11.60( 45.80%) f 9.31( 36.75%)g 0.30( 1.18%) 357. (0.00000) RY (34) C 5 s( 89.95%)p 0.00( 0.11%)d 0.03( 2.33%) f 0.02( 2.16%)g 0.06( 5.44%) 358. (0.00000) RY (35) C 5 s( 0.93%)p 0.67( 0.63%)d10.71( 10.01%) f49.48( 46.21%)g45.21( 42.22%) 359. (0.00000) RY (36) C 5 s( 0.53%)p 3.32( 1.77%)d16.78( 8.97%) f67.47( 36.05%)g98.61( 52.68%) 360. (0.00000) RY (37) C 5 s( 6.91%)p 0.07( 0.48%)d 0.50( 3.45%) f 8.67( 59.93%)g 4.23( 29.23%) 361. (0.00000) RY (38) C 5 s( 1.10%)p 1.45( 1.60%)d18.69( 20.60%) f15.97( 17.59%)g53.63( 59.10%) 362. (0.00000) RY (39) C 5 s( 2.89%)p 0.79( 2.29%)d 1.66( 4.81%) f16.97( 49.12%)g14.12( 40.88%) 363. (0.00000) RY (40) C 5 s( 13.29%)p 0.10( 1.33%)d 0.55( 7.29%) f 2.93( 38.91%)g 2.95( 39.18%) 364. (0.00000) RY (41) C 5 s( 1.39%)p 2.88( 4.00%)d19.01( 26.43%) f24.54( 34.12%)g24.49( 34.05%) 365. (0.00000) RY (42) C 5 s( 0.71%)p 4.02( 2.84%)d13.48( 9.54%) f57.04( 40.36%)g65.79( 46.55%) 366. (0.00000) RY (43) C 5 s( 9.95%)p 0.12( 1.20%)d 1.69( 16.84%) f 5.74( 57.12%)g 1.50( 14.90%) 367. (0.00000) RY (44) C 5 s( 12.43%)p 0.23( 2.91%)d 2.36( 29.31%) f 1.90( 23.59%)g 2.56( 31.76%) 368. (0.00000) RY (45) C 5 s( 0.63%)p 5.61( 3.54%)d43.01( 27.10%) f38.46( 24.24%)g70.62( 44.50%) 369. (0.00000) RY (46) C 5 s( 22.19%)p 0.17( 3.67%)d 0.89( 19.65%) f 1.17( 25.92%)g 1.29( 28.57%) 370. (0.00000) RY (47) C 5 s( 2.97%)p 1.17( 3.48%)d 5.68( 16.89%) f16.52( 49.13%)g 9.26( 27.52%) 371. (0.00000) RY (48) C 5 s( 14.97%)p 0.58( 8.72%)d 1.99( 29.74%) f 0.97( 14.52%)g 2.14( 32.05%) 372. (0.00000) RY (49) C 5 s( 14.46%)p 0.34( 4.89%)d 1.77( 25.57%) f 0.76( 11.04%)g 3.05( 44.03%) 373. (0.00000) RY (50) C 5 s( 15.21%)p 0.16( 2.48%)d 1.03( 15.68%) f 1.39( 21.08%)g 3.00( 45.55%) 374. (0.00000) RY (51) C 5 s( 4.98%)p 1.30( 6.46%)d10.45( 52.04%) f 3.33( 16.59%)g 4.00( 19.92%) 375. (0.00000) RY (52) C 5 s( 24.05%)p 0.82( 19.60%)d 0.65( 15.62%) f 0.34( 8.24%)g 1.35( 32.49%) 376. (0.00423) RY ( 1) C 6 s( 5.60%)p12.91( 72.32%)d 3.64( 20.40%) f 0.26( 1.45%)g 0.04( 0.22%) 0.0000 -0.0071 0.2088 -0.1095 -0.0118 0.0152 0.0003 0.0252 -0.7535 0.0040 0.0016 0.0087 0.1560 0.1203 0.0337 0.0022 0.3156 -0.1233 0.0010 -0.0168 0.0812 -0.0194 -0.1092 0.1952 0.0151 -0.0238 0.1833 0.0276 0.2775 -0.1782 0.0155 -0.0386 0.0244 -0.0223 0.0011 0.0318 0.0393 0.0104 0.0394 0.0047 -0.0733 -0.0023 0.0016 -0.0214 -0.0546 0.0286 -0.0250 -0.0040 0.0069 0.0277 0.0138 -0.0199 -0.0174 0.0207 0.0068 -0.0062 0.0000 377. (0.00346) RY ( 2) C 6 s( 6.99%)p11.48( 80.21%)d 1.42( 9.91%) f 0.41( 2.84%)g 0.01( 0.05%) 0.0000 0.0113 0.2636 -0.0133 0.0068 -0.0047 -0.0005 0.0072 0.1822 -0.0685 0.0000 0.0319 0.8682 0.0555 0.0489 0.0386 -0.0489 0.0030 0.0048 0.0987 -0.0336 -0.0145 -0.1296 0.0112 -0.0132 0.0258 -0.0190 0.0238 -0.1411 0.1601 0.0074 -0.1266 0.0872 -0.0105 -0.0239 0.0088 -0.0387 0.0127 -0.0647 0.0204 -0.0540 0.0249 0.0302 -0.0051 -0.0164 0.0010 -0.1266 0.0265 0.0023 0.0045 -0.0056 -0.0080 0.0048 0.0028 -0.0112 0.0117 0.0108 378. (0.00318) RY ( 3) C 6 s( 32.05%)p 1.08( 34.75%)d 0.97( 31.20%) f 0.06( 1.88%)g 0.00( 0.11%) 0.0000 0.0135 0.5632 -0.0552 0.0096 -0.0013 -0.0007 0.0177 -0.0499 -0.1303 -0.0012 -0.0298 -0.3457 0.0780 0.0018 0.0377 -0.4457 -0.0334 -0.0095 -0.0230 0.1385 -0.0028 -0.3431 0.1270 -0.0137 0.1784 0.0325 0.0220 -0.1208 0.2003 0.0124 -0.1931 0.1769 -0.0384 0.0663 0.0004 -0.0670 0.0213 0.0513 -0.0030 0.0182 0.0025 0.0226 -0.0213 -0.0385 0.0072 0.0541 -0.0321 0.0180 0.0126 0.0043 -0.0069 -0.0077 0.0029 -0.0004 0.0219 -0.0040 379. (0.00162) RY ( 4) C 6 s( 0.93%)p47.25( 43.71%)d55.92( 51.74%) f 3.75( 3.47%)g 0.16( 0.15%) 0.0000 -0.0035 -0.0150 0.0936 0.0128 0.0091 -0.0002 -0.0011 -0.3982 -0.0499 -0.0148 0.0058 0.0651 -0.3273 -0.0692 -0.0197 -0.3840 0.1089 0.0028 0.2171 -0.4251 0.0452 -0.1109 -0.1319 -0.0047 -0.0909 -0.4264 -0.0523 -0.0573 -0.2293 -0.0121 -0.0317 -0.0892 -0.0048 0.0130 -0.0305 -0.0135 -0.0120 -0.1344 -0.0232 -0.0106 -0.0211 0.0065 0.0349 0.0904 -0.0033 0.0530 0.0438 -0.0077 -0.0131 -0.0281 -0.0026 -0.0066 0.0034 0.0092 -0.0124 -0.0126 380. (0.00080) RY ( 5) C 6 s( 19.29%)p 2.28( 43.93%)d 1.64( 31.56%) f 0.26( 4.99%)g 0.01( 0.24%) 0.0000 -0.0066 0.3913 -0.1985 -0.0134 -0.0117 0.0009 0.0021 0.2432 0.0320 0.0246 -0.0029 -0.1636 -0.1696 -0.0333 0.0066 0.4549 -0.3378 -0.0288 0.1348 -0.3420 0.0294 0.0497 0.0544 0.0232 -0.0205 -0.3130 -0.0127 0.0891 0.0797 -0.0034 -0.1539 -0.1843 -0.0558 -0.1168 0.0116 0.0072 0.0395 -0.0009 -0.0520 -0.0403 0.0234 0.0710 -0.0083 -0.1367 0.0230 0.0714 0.0134 -0.0190 0.0200 -0.0004 -0.0176 -0.0091 -0.0165 0.0040 0.0309 -0.0030 381. (0.00042) RY ( 6) C 6 s( 0.00%)p 1.00( 10.78%)d 1.56( 16.82%) f 6.55( 70.63%)g 0.16( 1.77%) 0.0000 0.0001 0.0011 -0.0003 -0.0006 0.0002 0.0000 0.0000 0.0009 0.0032 -0.0033 0.0118 0.2020 -0.0464 -0.2449 0.0026 0.0424 -0.0094 -0.0531 -0.0746 0.2802 0.1010 -0.0105 0.0580 0.0212 0.1140 -0.2123 -0.0260 0.0219 -0.0393 -0.0039 0.0459 -0.0837 -0.0095 0.0819 -0.0395 -0.0803 0.0263 0.1187 -0.0602 0.2351 -0.0812 -0.2371 0.0766 -0.0443 0.0144 0.7073 -0.2164 -0.0039 -0.0084 -0.0100 0.0330 -0.0134 -0.0319 0.0847 0.0241 -0.0866 382. (0.00031) RY ( 7) C 6 s( 3.50%)p 2.96( 10.36%)d22.34( 78.11%) f 2.10( 7.36%)g 0.19( 0.68%) 0.0000 -0.0198 0.1584 0.0885 -0.0130 -0.0384 -0.0019 -0.0014 0.2557 0.1571 0.0381 0.0061 -0.0209 0.0042 -0.0130 -0.0280 0.0949 0.0178 0.0366 0.1042 0.0344 -0.0083 -0.5607 -0.1010 0.0367 -0.2394 0.0395 0.0078 0.2124 -0.3076 -0.0127 0.4868 0.0829 -0.0181 0.1642 0.0145 -0.1145 -0.0179 -0.1266 0.0127 0.0772 -0.0555 0.0426 -0.0064 -0.0389 0.0597 -0.0245 0.0134 -0.0208 -0.0083 0.0154 0.0068 -0.0029 0.0152 0.0211 -0.0727 -0.0027 383. (0.00026) RY ( 8) C 6 s( 0.78%)p40.21( 31.25%)d72.73( 56.52%) f14.41( 11.19%)g 0.34( 0.26%) 0.0000 -0.0064 0.0171 0.0652 -0.0408 0.0390 -0.0006 -0.0265 -0.2116 0.3787 0.0809 0.0088 0.0003 0.0640 0.0180 -0.0411 -0.0049 -0.3234 -0.0792 0.0020 -0.0315 0.0000 0.0327 0.0897 0.0027 -0.0630 -0.0443 -0.0151 -0.4631 0.3680 0.0046 0.4298 -0.1135 0.0370 0.2333 -0.0151 0.0024 0.0391 -0.0652 -0.0081 -0.1915 0.0419 -0.0216 -0.0174 0.1012 0.0052 0.0429 -0.0105 0.0178 0.0226 -0.0197 0.0030 -0.0010 -0.0221 -0.0115 0.0267 0.0067 384. (0.00017) RY ( 9) C 6 s( 12.62%)p 5.11( 64.52%)d 1.53( 19.25%) f 0.25( 3.13%)g 0.04( 0.48%) 0.0000 0.0050 0.3322 -0.1224 -0.0143 -0.0242 0.0021 0.0023 0.0118 0.7415 0.0075 -0.0071 0.0392 0.0052 -0.0163 0.0313 -0.1759 0.2444 -0.0407 -0.1177 0.0376 -0.0011 0.2365 -0.2059 0.0032 -0.0237 0.0759 -0.0206 0.1410 -0.1154 -0.0425 -0.1353 -0.1284 0.0492 -0.0871 -0.0247 0.0526 -0.0438 0.0085 0.0227 0.0840 -0.0206 -0.0596 0.0411 0.0276 -0.0514 -0.0402 0.0106 -0.0238 -0.0056 -0.0042 0.0371 0.0119 -0.0274 -0.0235 0.0361 0.0038 385. (0.00015) RY (10) C 6 s( 0.04%)p99.99( 28.15%)d99.99( 61.06%) f99.99( 10.25%)g11.20( 0.49%) 0.0000 0.0012 0.0204 -0.0016 -0.0039 -0.0018 0.0001 0.0007 0.0023 0.0747 -0.0094 0.0075 0.0174 -0.4662 0.2293 0.0052 -0.0328 -0.0514 0.0425 0.5924 0.2751 -0.0303 0.1532 0.0484 -0.0051 0.3058 0.1603 0.0791 0.1001 0.0251 0.0136 0.1316 0.0456 0.0386 0.0506 0.0006 0.1005 -0.0318 0.0891 0.0159 0.0808 -0.0027 0.2408 -0.0775 0.0663 -0.0218 0.0726 -0.0012 0.0169 0.0086 0.0268 -0.0039 0.0144 0.0148 -0.0455 -0.0154 0.0329 386. (0.00012) RY (11) C 6 s( 11.46%)p 3.08( 35.32%)d 3.17( 36.35%) f 1.34( 15.40%)g 0.13( 1.47%) 0.0000 0.0041 0.2760 0.1916 -0.0051 0.0408 0.0050 0.0106 -0.0518 -0.1811 -0.2783 0.0015 -0.0208 -0.0755 0.0056 -0.0111 0.0963 0.4739 -0.0084 -0.0526 -0.0823 0.0148 0.1600 0.3077 -0.0545 -0.0931 0.0588 -0.0082 -0.1214 0.1487 -0.0738 0.3178 -0.2654 0.0675 -0.0964 -0.0155 0.0964 0.0071 -0.0531 0.0099 0.2676 -0.0033 0.0292 -0.0115 -0.2340 0.0254 -0.0650 -0.0015 -0.0178 0.0020 0.0351 -0.0331 0.0187 -0.0372 0.0495 -0.0872 0.0159 387. (0.00007) RY (12) C 6 s( 7.52%)p 2.30( 17.33%)d 4.90( 36.81%) f 4.91( 36.90%)g 0.19( 1.43%) 388. (0.00007) RY (13) C 6 s( 0.05%)p99.99( 16.33%)d99.99( 65.88%) f99.99( 16.73%)g22.27( 1.02%) 389. (0.00005) RY (14) C 6 s( 15.01%)p 1.59( 23.86%)d 2.50( 37.56%) f 1.27( 19.07%)g 0.30( 4.50%) 390. (0.00002) RY (15) C 6 s( 0.12%)p68.76( 8.33%)d99.99( 37.02%) f99.99( 52.53%)g16.47( 2.00%) 391. (0.00002) RY (16) C 6 s( 4.04%)p 5.59( 22.56%)d 9.97( 40.25%) f 7.08( 28.59%)g 1.13( 4.56%) 392. (0.00002) RY (17) C 6 s( 0.35%)p50.07( 17.44%)d99.99( 60.77%) f56.48( 19.68%)g 5.05( 1.76%) 393. (0.00001) RY (18) C 6 s( 33.77%)p 0.18( 6.02%)d 0.50( 16.83%) f 1.17( 39.60%)g 0.11( 3.78%) 394. (0.00001) RY (19) C 6 s( 9.83%)p 0.33( 3.20%)d 3.72( 36.55%) f 4.09( 40.25%)g 1.03( 10.17%) 395. (0.00001) RY (20) C 6 s( 30.49%)p 0.22( 6.76%)d 0.63( 19.20%) f 1.41( 43.00%)g 0.02( 0.56%) 396. (0.00001) RY (21) C 6 s( 1.05%)p 7.71( 8.07%)d25.94( 27.14%) f52.27( 54.69%)g 8.67( 9.07%) 397. (0.00001) RY (22) C 6 s( 6.18%)p 1.16( 7.20%)d 6.05( 37.40%) f 6.12( 37.82%)g 1.84( 11.39%) 398. (0.00000) RY (23) C 6 s( 0.02%)p99.99( 55.73%)d99.99( 28.23%) f99.99( 14.44%)g94.51( 1.58%) 399. (0.00000) RY (24) C 6 s( 0.03%)p99.99( 16.44%)d99.99( 26.46%) f99.99( 44.64%)g99.99( 12.43%) 400. (0.00000) RY (25) C 6 s( 5.64%)p 4.83( 27.27%)d 5.41( 30.52%) f 6.15( 34.71%)g 0.33( 1.86%) 401. (0.00000) RY (26) C 6 s( 0.35%)p43.68( 15.21%)d99.99( 36.83%) f99.99( 39.49%)g23.29( 8.11%) 402. (0.00000) RY (27) C 6 s( 7.20%)p 2.34( 16.83%)d 6.12( 44.06%) f 4.20( 30.26%)g 0.23( 1.65%) 403. (0.00000) RY (28) C 6 s( 1.44%)p25.57( 36.88%)d 9.56( 13.79%) f 9.42( 13.58%)g23.79( 34.31%) 404. (0.00000) RY (29) C 6 s( 0.33%)p 9.99( 3.30%)d23.59( 7.79%) f36.54( 12.06%)g99.99( 76.52%) 405. (0.00000) RY (30) C 6 s( 5.67%)p 1.02( 5.81%)d 2.89( 16.40%) f 4.44( 25.18%)g 8.28( 46.94%) 406. (0.00000) RY (31) C 6 s( 26.83%)p 0.58( 15.65%)d 0.55( 14.70%) f 0.53( 14.13%)g 1.07( 28.69%) 407. (0.00000) RY (32) C 6 s( 3.85%)p 9.54( 36.77%)d 9.05( 34.88%) f 3.54( 13.64%)g 2.82( 10.86%) 408. (0.00000) RY (33) C 6 s( 15.64%)p 1.19( 18.65%)d 2.69( 42.11%) f 1.16( 18.14%)g 0.35( 5.45%) 409. (0.00000) RY (34) C 6 s( 24.20%)p 0.03( 0.61%)d 0.94( 22.82%) f 1.51( 36.66%)g 0.65( 15.71%) 410. (0.00000) RY (35) C 6 s( 45.99%)p 0.02( 0.76%)d 0.29( 13.49%) f 0.36( 16.44%)g 0.51( 23.32%) 411. (0.00000) RY (36) C 6 s( 16.04%)p 0.02( 0.36%)d 0.13( 2.14%) f 3.48( 55.76%)g 1.60( 25.70%) 412. (0.00000) RY (37) C 6 s( 6.52%)p 0.03( 0.21%)d 2.18( 14.23%) f 4.36( 28.45%)g 7.76( 50.59%) 413. (0.00000) RY (38) C 6 s( 9.65%)p 0.30( 2.91%)d 2.92( 28.23%) f 4.77( 46.01%)g 1.37( 13.19%) 414. (0.00000) RY (39) C 6 s( 0.09%)p16.95( 1.58%)d99.99( 24.98%) f99.99( 20.59%)g99.99( 52.76%) 415. (0.00000) RY (40) C 6 s( 1.66%)p 0.55( 0.91%)d 6.67( 11.07%) f35.03( 58.15%)g17.00( 28.22%) 416. (0.00000) RY (41) C 6 s( 13.81%)p 0.08( 1.11%)d 1.86( 25.67%) f 2.11( 29.12%)g 2.19( 30.29%) 417. (0.00000) RY (42) C 6 s( 3.97%)p 0.32( 1.27%)d 5.78( 22.97%) f14.13( 56.14%)g 3.94( 15.64%) 418. (0.00000) RY (43) C 6 s( 2.29%)p 1.05( 2.42%)d 4.65( 10.67%) f20.95( 48.03%)g15.97( 36.60%) 419. (0.00000) RY (44) C 6 s( 0.60%)p 4.34( 2.60%)d44.68( 26.76%) f45.97( 27.53%)g70.99( 42.51%) 420. (0.00000) RY (45) C 6 s( 12.79%)p 0.49( 6.25%)d 1.35( 17.25%) f 1.40( 17.91%)g 3.58( 45.79%) 421. (0.00000) RY (46) C 6 s( 20.63%)p 0.06( 1.27%)d 0.32( 6.60%) f 1.33( 27.43%)g 2.14( 44.07%) 422. (0.00000) RY (47) C 6 s( 44.69%)p 0.02( 1.06%)d 0.25( 11.33%) f 0.42( 18.76%)g 0.54( 24.17%) 423. (0.00000) RY (48) C 6 s( 3.73%)p 1.10( 4.11%)d 8.91( 33.25%) f 6.45( 24.06%)g 9.34( 34.85%) 424. (0.00000) RY (49) C 6 s( 3.21%)p 1.86( 5.97%)d 3.12( 10.02%) f 3.49( 11.22%)g21.68( 69.58%) 425. (0.00000) RY (50) C 6 s( 0.02%)p99.99( 6.15%)d99.99( 43.01%) f99.99( 37.81%)g99.99( 13.01%) 426. (0.00000) RY (51) C 6 s( 0.01%)p 1.00( 0.41%)d81.46( 33.13%) f99.99( 42.08%)g59.93( 24.37%) 427. (0.00000) RY (52) C 6 s( 21.60%)p 0.94( 20.22%)d 0.80( 17.31%) f 0.74( 15.88%)g 1.16( 25.00%) 428. (0.00367) RY ( 1) C 7 s( 1.04%)p77.99( 81.11%)d15.31( 15.92%) f 1.76( 1.83%)g 0.10( 0.10%) 0.0000 0.0155 0.0943 0.0320 0.0046 -0.0146 -0.0010 -0.0165 -0.1723 -0.0136 -0.0057 -0.0224 0.7593 -0.0520 -0.0020 0.0272 0.4474 0.0104 0.0100 -0.1286 0.1501 0.0019 -0.1794 0.2027 -0.0116 0.0054 -0.0455 -0.0080 0.0627 -0.1652 -0.0058 -0.0457 -0.1056 -0.0091 -0.0635 0.0185 -0.0306 0.0130 0.0295 0.0171 0.0402 -0.0116 -0.0194 0.0019 -0.0462 0.0221 0.0828 -0.0026 0.0005 -0.0072 0.0072 0.0110 0.0017 -0.0181 0.0116 0.0168 -0.0074 429. (0.00322) RY ( 2) C 7 s( 1.75%)p51.03( 89.20%)d 3.94( 6.88%) f 1.22( 2.14%)g 0.02( 0.04%) 0.0000 0.0083 0.1284 0.0274 0.0079 -0.0105 -0.0007 0.0401 0.7950 0.0238 0.0190 -0.0227 0.2966 -0.0723 -0.0161 -0.0054 -0.4026 -0.0352 -0.0066 0.0078 0.0441 -0.0081 -0.1443 0.1213 -0.0063 -0.0191 0.0047 0.0087 0.0495 -0.1646 -0.0068 -0.0265 0.0142 -0.0141 0.0193 -0.0115 0.0405 -0.0078 0.0084 0.0097 -0.1142 0.0301 0.0513 -0.0129 0.0457 0.0042 0.0014 0.0117 -0.0006 -0.0026 0.0004 -0.0009 -0.0045 -0.0015 0.0147 0.0016 -0.0108 430. (0.00142) RY ( 3) C 7 s( 19.34%)p 2.97( 57.42%)d 1.12( 21.67%) f 0.08( 1.51%)g 0.00( 0.06%) 0.0000 -0.0025 0.4387 0.0243 0.0151 0.0087 -0.0008 0.0100 -0.4635 0.0175 -0.0220 0.0074 0.0373 -0.1702 -0.0016 0.0090 -0.5676 0.0764 -0.0029 -0.0679 -0.0257 0.0046 -0.2869 0.1397 -0.0207 -0.1594 -0.0674 -0.0054 -0.1427 -0.0049 -0.0088 -0.2356 0.0521 -0.0219 -0.0839 0.0046 -0.0179 -0.0047 -0.0084 -0.0013 -0.0392 -0.0041 0.0324 0.0005 -0.0412 -0.0057 0.0566 -0.0094 -0.0077 0.0081 0.0040 0.0029 0.0159 0.0031 0.0022 -0.0075 0.0109 431. (0.00096) RY ( 4) C 7 s( 9.83%)p 2.11( 20.77%)d 6.64( 65.27%) f 0.40( 3.97%)g 0.02( 0.16%) 0.0000 -0.0037 0.3043 -0.0746 -0.0118 -0.0034 0.0013 0.0071 0.1343 0.2945 0.0794 -0.0004 -0.1339 0.0045 -0.0266 0.0102 0.1359 -0.2292 -0.0821 -0.2056 -0.0603 -0.0778 0.1129 0.2231 0.0044 0.0100 -0.0361 0.0427 -0.0080 0.4034 -0.0082 -0.2211 -0.5681 -0.0215 0.0219 -0.0074 -0.0286 0.0177 0.1345 0.0545 0.0084 -0.0070 -0.0728 -0.0227 -0.0148 -0.0395 -0.0904 -0.0331 0.0061 -0.0117 0.0188 0.0177 -0.0038 -0.0073 -0.0139 -0.0222 -0.0059 432. (0.00069) RY ( 5) C 7 s( 33.66%)p 0.49( 16.61%)d 1.27( 42.70%) f 0.19( 6.29%)g 0.02( 0.74%) 0.0000 0.0036 0.5311 -0.2334 0.0076 -0.0040 0.0006 0.0215 0.0468 -0.2492 -0.0409 -0.0152 -0.1244 0.1668 0.0481 0.0251 0.1761 -0.1458 0.0319 0.4054 0.0297 0.0691 -0.1006 0.1523 -0.0101 0.4184 0.0033 0.0539 0.0256 -0.0054 0.0310 0.0432 0.2047 0.0123 0.0905 -0.0043 -0.1827 0.0719 0.0290 -0.0433 0.0449 0.0077 -0.0617 -0.0118 0.0718 0.0151 0.0438 -0.0108 -0.0099 -0.0164 -0.0506 0.0144 -0.0005 -0.0431 -0.0236 -0.0163 -0.0394 433. (0.00047) RY ( 6) C 7 s( 0.95%)p18.32( 17.42%)d56.23( 53.46%) f28.80( 27.38%)g 0.83( 0.79%) 0.0000 -0.0118 0.0835 0.0317 -0.0137 -0.0348 -0.0001 0.0010 0.2223 -0.1456 -0.0429 0.0131 0.0366 -0.2366 -0.0408 -0.0065 0.1651 -0.0429 0.1158 -0.0271 -0.0694 0.0448 0.1473 -0.3316 -0.0031 -0.1570 -0.1677 -0.0111 -0.3755 0.1524 0.0708 -0.3648 0.1947 -0.0473 -0.0888 0.0209 -0.1488 0.0179 0.0039 -0.0126 0.2194 -0.1013 -0.1763 0.0612 -0.1052 0.0115 0.3585 -0.0995 -0.0033 -0.0047 -0.0181 0.0029 0.0322 0.0127 -0.0500 0.0392 0.0482 434. (0.00045) RY ( 7) C 7 s( 1.71%)p 7.74( 13.23%)d19.81( 33.85%) f28.96( 49.48%)g 1.01( 1.72%) 0.0000 -0.0048 0.1267 -0.0136 -0.0186 -0.0218 0.0002 -0.0109 -0.0359 -0.0365 0.2180 0.0057 0.0752 -0.1054 -0.0581 0.0111 0.2141 -0.0509 -0.1156 0.0787 -0.3113 -0.0408 0.1290 -0.1626 0.0104 -0.0533 0.1170 0.0687 -0.1817 -0.1523 -0.0055 -0.2969 0.1578 0.0007 -0.0398 0.0021 0.1907 -0.0764 0.1266 -0.0311 -0.4409 0.1233 0.1277 -0.0518 0.3215 -0.1102 -0.2856 0.0916 0.0206 0.0079 0.0285 -0.0215 -0.0311 0.0525 0.0511 -0.0886 -0.0359 435. (0.00023) RY ( 8) C 7 s( 10.15%)p 1.35( 13.74%)d 6.45( 65.46%) f 0.99( 10.03%)g 0.06( 0.61%) 0.0000 -0.0034 0.3114 0.0488 -0.0454 -0.0098 0.0032 -0.0104 0.0722 0.0558 -0.1465 0.0104 -0.0695 0.2458 -0.0360 -0.0239 0.1551 0.1262 -0.0156 -0.1606 0.2361 -0.0261 0.0209 0.0738 -0.0509 -0.4556 0.2931 -0.0427 -0.3327 0.0527 0.0118 0.3678 0.1250 0.0639 0.0963 -0.0305 0.1240 0.0019 -0.0218 -0.0485 -0.1221 0.0484 -0.1845 0.0534 0.1162 -0.0062 0.0647 0.0070 0.0514 -0.0072 0.0002 -0.0321 -0.0076 0.0256 -0.0386 0.0029 -0.0139 436. (0.00014) RY ( 9) C 7 s( 0.45%)p99.99( 55.52%)d84.60( 37.99%) f10.23( 4.60%)g 3.21( 1.44%) 0.0000 -0.0020 0.0247 -0.0013 0.0622 0.0014 0.0003 0.0239 0.0776 -0.3509 -0.0586 0.0036 -0.0316 -0.1567 -0.1119 0.0026 0.0864 0.6100 -0.0660 0.2657 0.0338 -0.0558 -0.0073 0.1254 -0.0540 -0.1928 0.0351 -0.0318 0.3209 0.3227 -0.0536 -0.1524 -0.1166 0.0058 -0.0167 -0.0119 0.1356 -0.0290 0.1027 0.0162 0.0516 0.0147 0.0034 0.0048 0.1084 -0.0093 0.0108 0.0248 0.0206 -0.0008 0.0800 -0.0557 -0.0218 0.0246 -0.0295 -0.0419 0.0285 437. (0.00012) RY (10) C 7 s( 1.43%)p10.70( 15.34%)d35.13( 50.35%) f22.47( 32.20%)g 0.47( 0.67%) 0.0000 0.0102 0.1062 -0.0099 -0.0459 0.0270 0.0024 -0.0062 -0.0003 0.0203 0.0394 -0.0148 0.0454 0.3566 0.0553 -0.0009 -0.0816 0.0677 -0.0875 -0.2532 0.1320 -0.0033 0.2778 -0.0516 0.0605 -0.0561 0.0090 0.0378 0.4083 -0.0369 0.0725 -0.3233 0.2338 -0.0375 -0.2275 0.0679 -0.1659 0.0580 -0.3069 0.0277 0.0387 0.0270 -0.2974 0.0559 0.1306 -0.0585 -0.1595 -0.0093 -0.0038 -0.0092 -0.0210 0.0006 -0.0532 -0.0173 -0.0312 -0.0008 -0.0458 438. (0.00008) RY (11) C 7 s( 13.87%)p 1.18( 16.30%)d 3.41( 47.25%) f 1.57( 21.73%)g 0.06( 0.84%) 439. (0.00005) RY (12) C 7 s( 3.58%)p12.77( 45.77%)d 5.96( 21.35%) f 7.78( 27.89%)g 0.39( 1.41%) 440. (0.00004) RY (13) C 7 s( 9.64%)p 2.68( 25.89%)d 4.69( 45.18%) f 1.09( 10.53%)g 0.91( 8.75%) 441. (0.00004) RY (14) C 7 s( 3.52%)p 4.55( 16.01%)d 9.56( 33.62%) f12.86( 45.22%)g 0.46( 1.63%) 442. (0.00003) RY (15) C 7 s( 4.48%)p 5.08( 22.75%)d 3.03( 13.56%) f12.84( 57.52%)g 0.38( 1.69%) 443. (0.00002) RY (16) C 7 s( 2.87%)p 8.54( 24.50%)d17.15( 49.17%) f 7.11( 20.38%)g 1.07( 3.08%) 444. (0.00002) RY (17) C 7 s( 10.27%)p 4.56( 46.82%)d 2.43( 24.99%) f 1.66( 17.01%)g 0.09( 0.91%) 445. (0.00001) RY (18) C 7 s( 4.25%)p 0.51( 2.15%)d 4.07( 17.32%) f14.49( 61.62%)g 3.45( 14.65%) 446. (0.00001) RY (19) C 7 s( 15.87%)p 0.41( 6.47%)d 2.11( 33.46%) f 2.18( 34.59%)g 0.61( 9.60%) 447. (0.00000) RY (20) C 7 s( 23.80%)p 0.44( 10.51%)d 1.84( 43.70%) f 0.83( 19.81%)g 0.09( 2.17%) 448. (0.00001) RY (21) C 7 s( 1.24%)p15.84( 19.71%)d20.28( 25.24%) f33.77( 42.03%)g 9.47( 11.78%) 449. (0.00001) RY (22) C 7 s( 5.72%)p 4.28( 24.50%)d 8.21( 46.96%) f 3.64( 20.84%)g 0.35( 1.98%) 450. (0.00001) RY (23) C 7 s( 1.54%)p 9.80( 15.07%)d33.27( 51.19%) f19.26( 29.64%)g 1.67( 2.56%) 451. (0.00000) RY (24) C 7 s( 17.01%)p 0.25( 4.24%)d 0.92( 15.59%) f 0.99( 16.78%)g 2.73( 46.38%) 452. (0.00000) RY (25) C 7 s( 13.78%)p 0.34( 4.67%)d 2.11( 29.08%) f 2.36( 32.51%)g 1.45( 19.95%) 453. (0.00000) RY (26) C 7 s( 2.01%)p11.80( 23.74%)d 9.90( 19.91%) f15.05( 30.27%)g11.97( 24.07%) 454. (0.00000) RY (27) C 7 s( 8.01%)p 0.69( 5.54%)d 2.42( 19.39%) f 6.81( 54.52%)g 1.57( 12.54%) 455. (0.00000) RY (28) C 7 s( 8.75%)p 4.33( 37.85%)d 1.86( 16.25%) f 1.23( 10.74%)g 3.02( 26.41%) 456. (0.00000) RY (29) C 7 s( 5.07%)p 7.20( 36.49%)d 6.11( 30.95%) f 2.28( 11.56%)g 3.15( 15.94%) 457. (0.00000) RY (30) C 7 s( 1.39%)p 2.62( 3.64%)d43.65( 60.65%) f15.79( 21.93%)g 8.92( 12.39%) 458. (0.00000) RY (31) C 7 s( 12.40%)p 1.67( 20.68%)d 2.32( 28.74%) f 2.24( 27.83%)g 0.83( 10.35%) 459. (0.00000) RY (32) C 7 s( 24.33%)p 0.44( 10.62%)d 1.30( 31.63%) f 1.14( 27.62%)g 0.24( 5.80%) 460. (0.00000) RY (33) C 7 s( 3.05%)p 6.36( 19.38%)d14.47( 44.08%) f 9.15( 27.88%)g 1.85( 5.62%) 461. (0.00000) RY (34) C 7 s( 3.37%)p 9.56( 32.22%)d10.39( 35.03%) f 8.27( 27.87%)g 0.45( 1.51%) 462. (0.00000) RY (35) C 7 s( 65.02%)p 0.00( 0.12%)d 0.05( 3.09%) f 0.15( 9.59%)g 0.34( 22.18%) 463. (0.00000) RY (36) C 7 s( 10.91%)p 0.03( 0.30%)d 0.81( 8.84%) f 2.69( 29.34%)g 4.64( 50.62%) 464. (0.00000) RY (37) C 7 s( 4.97%)p 0.09( 0.42%)d 4.87( 24.23%) f 7.03( 34.95%)g 7.12( 35.43%) 465. (0.00000) RY (38) C 7 s( 3.87%)p 0.04( 0.16%)d 1.26( 4.88%) f17.19( 66.48%)g 6.36( 24.61%) 466. (0.00000) RY (39) C 7 s( 4.21%)p 0.20( 0.84%)d 1.98( 8.32%) f 9.45( 39.75%)g11.15( 46.89%) 467. (0.00000) RY (40) C 7 s( 0.54%)p 3.16( 1.70%)d35.90( 19.33%) f50.13( 27.00%)g95.49( 51.42%) 468. (0.00000) RY (41) C 7 s( 7.01%)p 0.52( 3.65%)d 3.18( 22.30%) f 5.05( 35.39%)g 4.52( 31.66%) 469. (0.00000) RY (42) C 7 s( 3.36%)p 1.17( 3.94%)d 3.35( 11.25%) f 9.73( 32.72%)g14.49( 48.73%) 470. (0.00000) RY (43) C 7 s( 4.77%)p 0.28( 1.33%)d 2.55( 12.14%) f10.88( 51.89%)g 6.26( 29.87%) 471. (0.00000) RY (44) C 7 s( 8.58%)p 0.27( 2.36%)d 2.53( 21.74%) f 6.38( 54.76%)g 1.46( 12.56%) 472. (0.00000) RY (45) C 7 s( 5.01%)p 0.99( 4.98%)d 6.90( 34.55%) f 3.53( 17.67%)g 7.55( 37.80%) 473. (0.00000) RY (46) C 7 s( 4.81%)p 0.39( 1.89%)d 1.18( 5.66%) f 6.79( 32.66%)g11.43( 54.99%) 474. (0.00000) RY (47) C 7 s( 1.59%)p 2.62( 4.16%)d18.45( 29.31%) f 9.80( 15.57%)g31.07( 49.37%) 475. (0.00000) RY (48) C 7 s( 6.33%)p 1.00( 6.33%)d 4.51( 28.55%) f 4.80( 30.36%)g 4.49( 28.43%) 476. (0.00000) RY (49) C 7 s( 44.13%)p 0.05( 2.04%)d 0.43( 18.99%) f 0.50( 22.22%)g 0.29( 12.62%) 477. (0.00000) RY (50) C 7 s( 24.08%)p 0.08( 2.00%)d 1.66( 39.94%) f 0.21( 4.99%)g 1.20( 28.99%) 478. (0.00000) RY (51) C 7 s( 13.30%)p 0.10( 1.38%)d 1.48( 19.64%) f 1.80( 23.91%)g 3.14( 41.78%) 479. (0.00000) RY (52) C 7 s( 7.60%)p 0.96( 7.31%)d 1.14( 8.67%) f 4.31( 32.79%)g 5.74( 43.64%) 480. (0.00374) RY ( 1) C 8 s( 0.28%)p99.99( 80.72%)d64.46( 18.19%) f 2.43( 0.69%)g 0.44( 0.12%) 0.0000 0.0150 0.0026 0.0454 0.0089 -0.0212 -0.0009 0.0268 -0.3840 0.0573 0.0205 -0.0125 0.4237 -0.0103 -0.0002 -0.0054 0.6883 -0.0401 -0.0043 0.1953 -0.2492 0.0027 0.0218 -0.0799 -0.0087 -0.0507 0.1705 0.0020 -0.0540 0.1277 0.0092 -0.1123 0.1048 -0.0151 0.0554 0.0050 -0.0052 0.0085 0.0172 -0.0137 -0.0028 -0.0062 0.0369 0.0227 0.0008 -0.0025 -0.0352 -0.0037 0.0065 0.0010 0.0003 -0.0058 -0.0012 0.0078 0.0195 -0.0150 -0.0220 481. (0.00304) RY ( 2) C 8 s( 1.34%)p68.85( 92.28%)d 1.64( 2.20%) f 3.10( 4.15%)g 0.02( 0.03%) 0.0000 0.0013 0.1157 -0.0025 -0.0017 0.0017 0.0001 -0.0124 -0.5694 -0.0418 -0.0242 -0.0418 -0.7606 -0.0731 -0.0279 0.0139 0.0972 0.0010 0.0036 0.0633 -0.0631 -0.0074 -0.0423 0.0452 0.0009 0.0038 0.0529 0.0051 0.0266 -0.0287 -0.0210 -0.0675 0.0273 -0.0056 -0.0478 0.0143 0.0512 -0.0109 0.1023 -0.0277 -0.0540 0.0068 0.0303 -0.0135 0.1387 -0.0372 -0.0196 0.0032 0.0026 -0.0022 0.0003 0.0045 -0.0056 -0.0047 0.0038 0.0097 -0.0085 482. (0.00203) RY ( 3) C 8 s( 18.57%)p 2.40( 44.52%)d 1.81( 33.55%) f 0.18( 3.31%)g 0.00( 0.05%) 0.0000 0.0031 0.4302 0.0153 0.0164 0.0109 -0.0003 0.0158 -0.3095 0.0667 -0.0237 0.0036 0.2678 -0.0666 0.0035 0.0183 -0.5144 0.0496 -0.0229 -0.0660 -0.1404 -0.0160 -0.2136 0.0599 -0.0306 -0.1281 0.0220 -0.0089 -0.1413 0.1328 -0.0024 -0.3847 0.2405 -0.0243 0.0006 0.0002 -0.1301 0.0305 0.0217 0.0018 0.0194 -0.0003 -0.0726 0.0058 -0.0689 0.0146 -0.0642 0.0038 0.0031 -0.0067 0.0143 0.0040 -0.0059 0.0089 -0.0030 -0.0092 -0.0061 483. (0.00096) RY ( 4) C 8 s( 10.59%)p 1.33( 14.05%)d 6.71( 71.11%) f 0.37( 3.95%)g 0.03( 0.29%) 0.0000 0.0046 0.2959 -0.1355 -0.0022 0.0027 0.0008 0.0196 0.0260 -0.0983 0.0325 -0.0114 0.0345 0.2471 0.0983 0.0162 -0.0787 -0.2235 -0.0175 0.4136 0.1439 0.0575 -0.1961 0.2941 -0.0474 0.3576 0.3781 0.0152 0.0336 0.2134 0.0358 0.2362 -0.1156 0.0247 0.0212 0.0064 -0.0460 0.0008 -0.0946 -0.0354 0.0127 0.0322 0.1144 0.0059 0.0657 0.0429 0.0785 -0.0101 0.0027 -0.0133 0.0095 -0.0099 -0.0341 0.0345 0.0086 0.0074 0.0021 484. (0.00074) RY ( 5) C 8 s( 10.92%)p 1.33( 14.51%)d 6.19( 67.56%) f 0.61( 6.63%)g 0.04( 0.39%) 0.0000 0.0074 0.2816 -0.1724 0.0006 -0.0122 0.0000 0.0298 0.1256 -0.2754 -0.0534 -0.0119 -0.0666 -0.0983 -0.0551 0.0233 0.1293 -0.1233 0.0038 0.0893 -0.2705 0.0074 -0.2380 -0.1638 -0.0133 0.0743 -0.4679 0.0224 -0.3143 -0.0838 -0.0753 0.3337 0.2497 0.0227 -0.0159 -0.0263 -0.0144 0.0728 -0.1051 0.0423 -0.0824 -0.0137 0.1102 -0.0227 -0.1627 -0.0151 0.0142 -0.0205 -0.0009 -0.0128 0.0265 0.0046 -0.0463 -0.0034 0.0102 -0.0248 0.0098 485. (0.00058) RY ( 6) C 8 s( 22.25%)p 1.22( 27.05%)d 1.71( 37.97%) f 0.56( 12.36%)g 0.02( 0.37%) 0.0000 -0.0178 0.4636 -0.0787 0.0028 -0.0331 0.0002 -0.0129 0.3513 0.0090 0.0007 0.0183 -0.0606 -0.0240 -0.0966 -0.0042 0.3606 -0.0495 0.0209 -0.4592 0.1282 0.0251 -0.1469 0.1286 0.0041 -0.0150 0.1793 0.0034 0.1298 -0.0720 -0.0385 -0.2373 0.0381 -0.0007 -0.1467 0.0262 0.0428 -0.0295 0.1110 -0.0402 -0.1812 0.0680 0.1285 -0.0504 0.0912 -0.0264 -0.1383 0.0094 -0.0057 -0.0085 0.0128 0.0337 0.0000 -0.0216 0.0180 0.0368 0.0124 486. (0.00042) RY ( 7) C 8 s( 1.09%)p13.29( 14.45%)d19.85( 21.58%) f56.03( 60.91%)g 1.82( 1.98%) 0.0000 -0.0062 0.1009 0.0018 -0.0111 -0.0228 0.0006 -0.0155 -0.0399 0.0373 0.1734 -0.0086 -0.1760 0.0131 0.2234 -0.0015 0.1651 -0.0048 -0.0528 -0.1932 0.1750 0.0408 0.0499 -0.1019 -0.0392 0.1643 -0.1142 -0.0567 0.1427 0.2028 0.0682 -0.1486 0.0010 0.0172 0.1090 -0.0368 -0.2290 0.0557 -0.2552 0.0836 0.4346 -0.1184 0.0833 -0.0201 -0.4776 0.1715 -0.0204 -0.0030 -0.0159 0.0255 -0.0176 -0.0625 0.0047 0.0788 -0.0372 -0.0520 0.0658 487. (0.00014) RY ( 8) C 8 s( 19.28%)p 0.88( 16.88%)d 2.57( 49.62%) f 0.70( 13.55%)g 0.04( 0.68%) 0.0000 0.0114 0.4174 0.1192 -0.0602 -0.0231 0.0042 0.0121 -0.0971 -0.2262 0.0306 -0.0108 0.1518 0.1211 -0.0197 0.0030 -0.0524 0.2539 -0.0404 0.1324 -0.0165 0.0301 0.3933 -0.2357 0.0930 0.2570 -0.1851 0.0095 0.3092 -0.2184 -0.0074 -0.0121 -0.1155 -0.0360 -0.1255 0.0166 0.1673 -0.0383 -0.0874 0.0481 0.1118 -0.0335 -0.0294 0.0154 0.2020 -0.0610 -0.1327 0.0566 -0.0476 -0.0009 -0.0543 -0.0239 0.0043 -0.0275 0.0104 -0.0010 -0.0091 488. (0.00012) RY ( 9) C 8 s( 1.09%)p16.23( 17.72%)d47.33( 51.66%) f25.56( 27.89%)g 1.50( 1.63%) 0.0000 -0.0012 0.0572 0.0767 -0.0017 0.0419 0.0026 -0.0059 0.3198 -0.1735 0.0024 0.0076 -0.1749 -0.0648 0.0674 -0.0253 -0.0024 0.0425 0.0545 0.2611 -0.1590 -0.0024 0.4039 -0.0461 0.0208 -0.1443 0.2804 0.0039 -0.1179 0.1394 0.0386 -0.1009 0.3344 0.0341 -0.3841 0.0749 -0.1012 0.0559 0.1979 -0.0847 0.1503 -0.0023 -0.0779 -0.0129 -0.1272 0.0573 0.1235 -0.0507 0.0167 -0.0347 0.0806 0.0133 -0.0472 0.0560 0.0209 -0.0441 -0.0211 489. (0.00007) RY (10) C 8 s( 4.06%)p 5.98( 24.28%)d 9.04( 36.72%) f 7.96( 32.35%)g 0.63( 2.58%) 490. (0.00005) RY (11) C 8 s( 2.33%)p10.29( 23.95%)d17.04( 39.67%) f13.85( 32.24%)g 0.78( 1.81%) 491. (0.00005) RY (12) C 8 s( 12.36%)p 0.67( 8.23%)d 5.64( 69.75%) f 0.60( 7.37%)g 0.19( 2.29%) 492. (0.00003) RY (13) C 8 s( 0.59%)p47.14( 27.72%)d62.45( 36.71%) f54.68( 32.15%)g 4.83( 2.84%) 493. (0.00003) RY (14) C 8 s( 4.89%)p 9.44( 46.15%)d 3.58( 17.49%) f 6.08( 29.73%)g 0.35( 1.73%) 494. (0.00002) RY (15) C 8 s( 2.25%)p13.04( 29.29%)d19.03( 42.75%) f 9.39( 21.10%)g 2.05( 4.61%) 495. (0.00002) RY (16) C 8 s( 13.42%)p 2.91( 38.99%)d 2.84( 38.14%) f 0.67( 9.05%)g 0.03( 0.41%) 496. (0.00001) RY (17) C 8 s( 4.87%)p 6.17( 30.09%)d 5.82( 28.35%) f 5.58( 27.22%)g 1.94( 9.47%) 497. (0.00001) RY (18) C 8 s( 8.19%)p 1.22( 9.97%)d 4.70( 38.45%) f 4.34( 35.56%)g 0.96( 7.84%) 498. (0.00001) RY (19) C 8 s( 7.03%)p 2.06( 14.48%)d 8.42( 59.19%) f 2.53( 17.77%)g 0.22( 1.53%) 499. (0.00001) RY (20) C 8 s( 24.95%)p 0.55( 13.71%)d 1.27( 31.57%) f 0.94( 23.48%)g 0.25( 6.29%) 500. (0.00001) RY (21) C 8 s( 5.34%)p 3.60( 19.24%)d 7.03( 37.56%) f 6.51( 34.76%)g 0.58( 3.10%) 501. (0.00001) RY (22) C 8 s( 3.27%)p 9.58( 31.30%)d 7.06( 23.07%) f12.20( 39.88%)g 0.76( 2.48%) 502. (0.00000) RY (23) C 8 s( 10.26%)p 1.43( 14.67%)d 3.34( 34.23%) f 3.33( 34.14%)g 0.65( 6.71%) 503. (0.00000) RY (24) C 8 s( 6.22%)p 3.33( 20.71%)d 4.25( 26.42%) f 4.22( 26.26%)g 3.28( 20.40%) 504. (0.00000) RY (25) C 8 s( 22.81%)p 0.14( 3.26%)d 0.49( 11.15%) f 1.42( 32.45%)g 1.33( 30.33%) 505. (0.00000) RY (26) C 8 s( 15.41%)p 1.14( 17.54%)d 0.78( 12.00%) f 1.76( 27.05%)g 1.82( 27.99%) 506. (0.00000) RY (27) C 8 s( 14.27%)p 0.36( 5.13%)d 1.84( 26.26%) f 1.84( 26.29%)g 1.96( 28.04%) 507. (0.00000) RY (28) C 8 s( 10.59%)p 0.23( 2.43%)d 1.30( 13.80%) f 3.44( 36.40%)g 3.47( 36.78%) 508. (0.00000) RY (29) C 8 s( 2.87%)p 9.84( 28.23%)d13.27( 38.08%) f 6.30( 18.06%)g 4.45( 12.76%) 509. (0.00000) RY (30) C 8 s( 15.44%)p 1.47( 22.70%)d 2.37( 36.52%) f 0.84( 13.03%)g 0.80( 12.32%) 510. (0.00000) RY (31) C 8 s( 7.36%)p 3.95( 29.06%)d 3.68( 27.06%) f 3.67( 26.99%)g 1.29( 9.53%) 511. (0.00000) RY (32) C 8 s( 24.93%)p 1.14( 28.40%)d 1.16( 28.92%) f 0.46( 11.38%)g 0.26( 6.37%) 512. (0.00000) RY (33) C 8 s( 10.18%)p 1.36( 13.81%)d 2.16( 21.99%) f 3.98( 40.55%)g 1.32( 13.46%) 513. (0.00000) RY (34) C 8 s( 1.51%)p 6.60( 9.99%)d29.91( 45.25%) f21.70( 32.83%)g 6.89( 10.43%) 514. (0.00000) RY (35) C 8 s( 9.94%)p 1.40( 13.90%)d 1.68( 16.67%) f 5.00( 49.72%)g 0.98( 9.77%) 515. (0.00000) RY (36) C 8 s( 62.48%)p 0.01( 0.40%)d 0.08( 5.30%) f 0.24( 14.69%)g 0.27( 17.13%) 516. (0.00000) RY (37) C 8 s( 8.07%)p 0.11( 0.90%)d 0.45( 3.60%) f 8.55( 69.01%)g 2.28( 18.41%) 517. (0.00000) RY (38) C 8 s( 1.08%)p 0.64( 0.69%)d 5.20( 5.60%) f36.08( 38.86%)g49.92( 53.77%) 518. (0.00000) RY (39) C 8 s( 9.25%)p 0.10( 0.95%)d 1.67( 15.42%) f 3.40( 31.48%)g 4.64( 42.89%) 519. (0.00000) RY (40) C 8 s( 8.06%)p 0.11( 0.91%)d 0.92( 7.40%) f 5.76( 46.49%)g 4.61( 37.14%) 520. (0.00000) RY (41) C 8 s( 4.41%)p 0.28( 1.24%)d 1.12( 4.94%) f 8.62( 38.02%)g11.65( 51.39%) 521. (0.00000) RY (42) C 8 s( 6.29%)p 0.11( 0.69%)d 2.47( 15.52%) f 4.46( 28.01%)g 7.87( 49.49%) 522. (0.00000) RY (43) C 8 s( 3.54%)p 0.91( 3.21%)d 9.45( 33.45%) f 9.67( 34.20%)g 7.24( 25.60%) 523. (0.00000) RY (44) C 8 s( 5.58%)p 0.60( 3.33%)d 2.09( 11.63%) f 4.56( 25.43%)g 9.69( 54.03%) 524. (0.00000) RY (45) C 8 s( 14.23%)p 0.12( 1.78%)d 1.78( 25.39%) f 1.39( 19.75%)g 2.73( 38.86%) 525. (0.00000) RY (46) C 8 s( 0.92%)p 4.00( 3.69%)d69.21( 63.83%) f25.13( 23.17%)g 9.10( 8.39%) 526. (0.00000) RY (47) C 8 s( 4.89%)p 0.57( 2.77%)d 1.43( 7.00%) f 6.00( 29.37%)g11.44( 55.97%) 527. (0.00000) RY (48) C 8 s( 6.26%)p 0.09( 0.59%)d 3.63( 22.72%) f 5.00( 31.32%)g 6.25( 39.10%) 528. (0.00000) RY (49) C 8 s( 3.91%)p 1.49( 5.84%)d 7.63( 29.82%) f 9.59( 37.50%)g 5.87( 22.94%) 529. (0.00000) RY (50) C 8 s( 19.99%)p 0.26( 5.13%)d 1.00( 20.02%) f 1.22( 24.41%)g 1.52( 30.46%) 530. (0.00000) RY (51) C 8 s( 6.63%)p 0.38( 2.52%)d 1.93( 12.78%) f 4.16( 27.56%)g 7.62( 50.51%) 531. (0.00000) RY (52) C 8 s( 3.87%)p 4.34( 16.79%)d 6.12( 23.64%) f 7.56( 29.24%)g 6.85( 26.47%) 532. (0.00385) RY ( 1) C 9 s( 0.41%)p99.99( 80.32%)d44.94( 18.39%) f 1.81( 0.74%)g 0.34( 0.14%) 0.0000 0.0132 -0.0167 0.0562 0.0088 -0.0202 -0.0008 0.0224 -0.3586 0.0785 0.0268 0.0104 -0.7214 0.0057 -0.0060 -0.0088 0.3814 -0.0332 -0.0090 -0.1960 0.2315 -0.0004 -0.0492 0.0234 -0.0100 0.1331 -0.2415 0.0059 -0.0110 0.0509 0.0187 -0.0491 -0.0839 -0.0158 0.0194 0.0163 -0.0243 -0.0123 -0.0652 0.0046 -0.0040 0.0021 -0.0078 -0.0230 -0.0149 -0.0097 0.0283 0.0055 0.0086 -0.0045 0.0028 -0.0140 -0.0123 0.0150 0.0008 -0.0207 0.0167 533. (0.00309) RY ( 2) C 9 s( 1.46%)p62.75( 91.62%)d 1.93( 2.82%) f 2.79( 4.07%)g 0.02( 0.03%) 0.0000 0.0038 0.1205 -0.0074 -0.0005 -0.0016 -0.0001 -0.0054 -0.5711 -0.0487 -0.0240 0.0335 0.5911 0.0801 0.0296 0.0331 0.4768 0.0240 0.0182 -0.0482 0.0827 0.0075 -0.0732 0.0636 0.0032 0.0353 -0.0514 0.0073 0.0173 -0.0425 -0.0249 -0.0515 0.0140 -0.0040 -0.0848 0.0259 -0.0049 0.0095 0.0287 -0.0051 -0.0698 0.0128 -0.1163 0.0304 0.0919 -0.0273 0.0559 -0.0070 -0.0018 0.0048 -0.0037 -0.0049 0.0064 0.0068 -0.0098 0.0042 0.0078 534. (0.00202) RY ( 3) C 9 s( 18.30%)p 2.53( 46.29%)d 1.76( 32.19%) f 0.17( 3.17%)g 0.00( 0.05%) 0.0000 0.0021 0.4269 0.0187 0.0163 0.0119 -0.0003 0.0121 -0.3266 0.0742 -0.0220 -0.0101 0.0069 0.0293 0.0011 0.0135 -0.5858 0.0718 -0.0245 0.1414 0.0777 0.0262 -0.1558 0.1131 -0.0207 0.3831 -0.2277 0.0220 -0.0071 0.0784 0.0089 -0.1962 0.1170 -0.0127 -0.0325 0.0018 -0.0471 0.0146 -0.0299 -0.0002 0.0362 -0.0016 0.1508 -0.0267 0.0097 0.0059 0.0489 -0.0044 -0.0124 -0.0042 -0.0052 -0.0029 -0.0010 0.0137 0.0070 -0.0050 0.0002 535. (0.00104) RY ( 4) C 9 s( 2.20%)p 7.62( 16.73%)d34.47( 75.69%) f 2.36( 5.17%)g 0.09( 0.21%) 0.0000 0.0013 0.1303 -0.0684 0.0061 -0.0161 -0.0011 0.0149 0.1521 -0.1389 -0.0568 -0.0063 -0.0864 0.2085 0.0970 0.0099 0.2159 0.1027 0.0616 0.3040 0.3789 0.0222 0.0163 -0.1221 0.0209 0.1712 0.2356 0.0178 -0.1618 0.0221 -0.0829 0.1560 0.6013 0.0157 0.0242 -0.0513 0.0040 0.0712 0.0795 0.0031 -0.0045 -0.0312 0.0510 0.0025 -0.1468 -0.0260 0.1047 0.0171 -0.0246 0.0184 -0.0087 0.0020 0.0290 -0.0062 0.0034 -0.0125 -0.0027 536. (0.00091) RY ( 5) C 9 s( 23.85%)p 0.70( 16.78%)d 2.22( 52.84%) f 0.25( 6.02%)g 0.02( 0.50%) 0.0000 0.0079 0.4385 -0.2147 -0.0005 -0.0071 0.0004 0.0366 0.1263 -0.2383 -0.0058 0.0010 -0.0313 -0.0139 -0.0323 0.0332 0.0405 -0.2967 -0.0262 -0.1742 -0.0311 -0.0276 -0.4320 0.1531 -0.0650 -0.3856 -0.1221 -0.0321 -0.3191 0.0896 -0.0336 0.0788 0.0006 0.0143 0.1279 -0.0099 -0.1291 0.0384 0.0849 -0.0071 0.0016 0.0274 -0.0644 -0.0292 -0.1020 0.0208 -0.0422 0.0009 -0.0181 0.0196 0.0017 -0.0189 0.0242 0.0466 0.0006 -0.0091 -0.0337 537. (0.00057) RY ( 6) C 9 s( 16.38%)p 1.36( 22.20%)d 2.94( 48.11%) f 0.79( 12.91%)g 0.02( 0.40%) 0.0000 -0.0176 0.4005 -0.0465 0.0009 -0.0295 0.0003 -0.0155 0.3208 0.0619 0.0099 -0.0150 -0.1073 -0.0020 0.0678 -0.0133 0.3077 -0.0378 0.0486 0.4369 -0.2389 -0.0251 0.0845 0.0839 -0.0054 0.1213 -0.1671 0.0109 0.2407 -0.1575 -0.0192 -0.2308 -0.1978 -0.0001 -0.1366 0.0381 -0.0436 -0.0067 0.1315 -0.0433 -0.0789 0.0605 -0.1597 0.0655 0.0698 0.0044 0.2016 -0.0519 -0.0190 -0.0037 -0.0046 -0.0033 0.0158 -0.0233 -0.0481 0.0215 0.0022 538. (0.00042) RY ( 7) C 9 s( 1.16%)p12.60( 14.60%)d19.26( 22.32%) f51.75( 59.96%)g 1.70( 1.96%) 0.0000 -0.0062 0.1042 0.0044 -0.0127 -0.0228 0.0007 -0.0152 -0.0371 0.0439 0.1703 0.0085 0.0886 -0.0181 -0.1878 0.0024 0.2222 -0.0099 -0.1431 0.1533 -0.1427 -0.0259 0.1239 -0.1593 -0.0534 -0.0704 -0.0025 0.0017 0.1099 0.2193 0.0826 -0.2469 0.0241 0.0397 0.1295 -0.0494 -0.1602 0.0276 -0.2108 0.0560 0.4103 -0.1124 0.2781 -0.0921 -0.4212 0.1539 -0.1877 0.0568 0.0333 -0.0061 0.0321 0.0194 -0.0530 0.0044 0.0758 -0.0187 -0.0904 539. (0.00014) RY ( 8) C 9 s( 19.37%)p 0.84( 16.18%)d 2.59( 50.06%) f 0.71( 13.74%)g 0.03( 0.65%) 0.0000 0.0113 0.4201 0.1139 -0.0587 -0.0241 0.0041 0.0118 -0.0946 -0.2335 0.0328 0.0088 -0.1160 -0.2042 0.0404 0.0071 -0.1033 0.1700 -0.0263 -0.2816 0.1318 -0.0642 0.2918 -0.2076 0.0721 -0.2861 0.2888 0.0194 0.1845 -0.1119 -0.0102 -0.2160 0.0797 -0.0323 -0.0297 -0.0184 0.1156 -0.0296 0.0583 -0.0041 0.2112 -0.0749 -0.1816 0.0430 0.1668 -0.0586 0.0421 -0.0220 0.0429 0.0060 0.0523 0.0295 0.0129 -0.0120 -0.0116 -0.0053 0.0231 540. (0.00012) RY ( 9) C 9 s( 1.14%)p15.59( 17.72%)d46.00( 52.28%) f24.00( 27.28%)g 1.39( 1.58%) 0.0000 -0.0007 0.0652 0.0739 -0.0015 0.0406 0.0028 -0.0055 0.3199 -0.1783 -0.0012 0.0036 0.1537 0.0401 -0.0853 -0.0257 0.0690 0.0698 0.0157 -0.4022 0.1576 -0.0103 0.2710 0.0111 0.0202 0.2027 -0.4590 -0.0361 -0.0535 -0.0229 0.0305 0.0439 0.0514 0.0163 -0.3947 0.1049 -0.0077 0.0422 0.1781 -0.0354 0.0764 0.0369 0.1604 -0.0519 -0.0757 0.0506 -0.1616 0.0340 -0.0647 -0.0091 -0.0135 -0.0433 0.0066 0.0796 0.0220 -0.0473 -0.0187 541. (0.00007) RY (10) C 9 s( 4.83%)p 4.99( 24.13%)d 7.15( 34.56%) f 6.95( 33.62%)g 0.59( 2.85%) 542. (0.00005) RY (11) C 9 s( 11.48%)p 1.49( 17.11%)d 4.60( 52.86%) f 1.44( 16.50%)g 0.18( 2.04%) 543. (0.00005) RY (12) C 9 s( 2.94%)p 3.74( 11.00%)d20.67( 60.84%) f 7.85( 23.11%)g 0.72( 2.11%) 544. (0.00003) RY (13) C 9 s( 0.90%)p34.14( 30.88%)d37.56( 33.98%) f34.85( 31.53%)g 2.99( 2.70%) 545. (0.00003) RY (14) C 9 s( 3.89%)p12.27( 47.72%)d 4.74( 18.45%) f 7.21( 28.05%)g 0.49( 1.89%) 546. (0.00002) RY (15) C 9 s( 1.97%)p14.75( 29.06%)d20.48( 40.36%) f12.14( 23.92%)g 2.38( 4.69%) 547. (0.00002) RY (16) C 9 s( 11.60%)p 3.44( 39.91%)d 3.37( 39.05%) f 0.78( 9.00%)g 0.04( 0.44%) 548. (0.00001) RY (17) C 9 s( 5.15%)p 5.75( 29.61%)d 5.37( 27.61%) f 5.39( 27.72%)g 1.93( 9.91%) 549. (0.00001) RY (18) C 9 s( 13.67%)p 0.91( 12.41%)d 2.43( 33.21%) f 2.48( 33.87%)g 0.50( 6.83%) 550. (0.00001) RY (19) C 9 s( 1.74%)p 9.01( 15.67%)d37.70( 65.56%) f 8.67( 15.07%)g 1.13( 1.96%) 551. (0.00001) RY (20) C 9 s( 28.57%)p 0.47( 13.36%)d 1.08( 30.72%) f 0.77( 21.87%)g 0.19( 5.48%) 552. (0.00001) RY (21) C 9 s( 7.26%)p 2.58( 18.69%)d 5.14( 37.30%) f 4.58( 33.26%)g 0.48( 3.49%) 553. (0.00001) RY (22) C 9 s( 3.42%)p 9.08( 31.09%)d 6.91( 23.65%) f11.46( 39.23%)g 0.76( 2.62%) 554. (0.00000) RY (23) C 9 s( 9.64%)p 1.41( 13.63%)d 3.55( 34.23%) f 3.76( 36.28%)g 0.64( 6.22%) 555. (0.00000) RY (24) C 9 s( 6.49%)p 3.96( 25.72%)d 3.03( 19.69%) f 3.89( 25.23%)g 3.52( 22.87%) 556. (0.00000) RY (25) C 9 s( 25.64%)p 0.29( 7.55%)d 0.46( 11.71%) f 1.05( 26.88%)g 1.10( 28.21%) 557. (0.00000) RY (26) C 9 s( 22.46%)p 0.81( 18.12%)d 0.49( 11.03%) f 1.02( 22.87%)g 1.14( 25.51%) 558. (0.00000) RY (27) C 9 s( 13.25%)p 0.33( 4.39%)d 2.21( 29.23%) f 2.13( 28.22%)g 1.88( 24.91%) 559. (0.00000) RY (28) C 9 s( 7.00%)p 0.69( 4.83%)d 1.95( 13.65%) f 5.02( 35.14%)g 5.63( 39.38%) 560. (0.00000) RY (29) C 9 s( 2.05%)p13.73( 28.15%)d18.27( 37.46%) f 7.82( 16.02%)g 7.96( 16.32%) 561. (0.00000) RY (30) C 9 s( 16.32%)p 1.36( 22.27%)d 2.09( 34.06%) f 0.90( 14.72%)g 0.77( 12.64%) 562. (0.00000) RY (31) C 9 s( 10.41%)p 2.54( 26.42%)d 2.71( 28.23%) f 2.37( 24.64%)g 0.99( 10.30%) 563. (0.00000) RY (32) C 9 s( 19.79%)p 1.35( 26.73%)d 1.66( 32.93%) f 0.63( 12.38%)g 0.41( 8.17%) 564. (0.00000) RY (33) C 9 s( 7.63%)p 1.68( 12.83%)d 3.09( 23.61%) f 5.76( 43.95%)g 1.57( 11.98%) 565. (0.00000) RY (34) C 9 s( 2.06%)p 4.87( 10.04%)d19.36( 39.90%) f17.90( 36.88%)g 5.40( 11.12%) 566. (0.00000) RY (35) C 9 s( 8.99%)p 1.54( 13.84%)d 1.81( 16.31%) f 5.69( 51.14%)g 1.08( 9.72%) 567. (0.00000) RY (36) C 9 s( 64.08%)p 0.01( 0.62%)d 0.08( 4.99%) f 0.23( 14.85%)g 0.24( 15.45%) 568. (0.00000) RY (37) C 9 s( 6.83%)p 0.11( 0.77%)d 0.39( 2.63%) f11.65( 79.54%)g 1.50( 10.23%) 569. (0.00000) RY (38) C 9 s( 3.09%)p 0.32( 1.00%)d 2.23( 6.90%) f 7.76( 23.98%)g21.05( 65.04%) 570. (0.00000) RY (39) C 9 s( 8.84%)p 0.08( 0.70%)d 1.51( 13.32%) f 4.16( 36.76%)g 4.57( 40.38%) 571. (0.00000) RY (40) C 9 s( 4.36%)p 0.18( 0.79%)d 2.70( 11.76%) f10.20( 44.46%)g 8.86( 38.63%) 572. (0.00000) RY (41) C 9 s( 5.27%)p 0.20( 1.06%)d 1.09( 5.75%) f 5.85( 30.82%)g10.83( 57.10%) 573. (0.00000) RY (42) C 9 s( 4.52%)p 0.08( 0.34%)d 3.37( 15.24%) f 6.06( 27.38%)g11.63( 52.52%) 574. (0.00000) RY (43) C 9 s( 4.70%)p 0.61( 2.87%)d 6.93( 32.56%) f 8.31( 39.05%)g 4.43( 20.82%) 575. (0.00000) RY (44) C 9 s( 6.68%)p 0.35( 2.32%)d 1.26( 8.43%) f 3.88( 25.89%)g 8.49( 56.69%) 576. (0.00000) RY (45) C 9 s( 12.84%)p 0.09( 1.22%)d 2.47( 31.71%) f 1.20( 15.45%)g 3.02( 38.78%) 577. (0.00000) RY (46) C 9 s( 0.89%)p 4.82( 4.27%)d61.15( 54.22%) f30.47( 27.01%)g15.35( 13.61%) 578. (0.00000) RY (47) C 9 s( 4.99%)p 0.45( 2.25%)d 2.25( 11.24%) f 6.23( 31.09%)g10.10( 50.43%) 579. (0.00000) RY (48) C 9 s( 5.70%)p 0.19( 1.10%)d 4.59( 26.15%) f 5.43( 30.93%)g 6.34( 36.12%) 580. (0.00000) RY (49) C 9 s( 1.79%)p 1.25( 2.23%)d13.22( 23.66%) f26.91( 48.15%)g13.52( 24.18%) 581. (0.00000) RY (50) C 9 s( 22.90%)p 0.20( 4.66%)d 0.68( 15.57%) f 1.10( 25.24%)g 1.38( 31.64%) 582. (0.00000) RY (51) C 9 s( 6.13%)p 0.59( 3.62%)d 3.22( 19.73%) f 4.19( 25.69%)g 7.32( 44.83%) 583. (0.00000) RY (52) C 9 s( 3.16%)p 4.26( 13.45%)d 9.66( 30.50%) f 9.27( 29.28%)g 7.48( 23.62%) 584. (0.00368) RY ( 1) C 10 s( 0.99%)p81.49( 80.90%)d16.31( 16.20%) f 1.82( 1.81%)g 0.10( 0.10%) 0.0000 0.0147 0.0914 0.0333 0.0048 -0.0151 -0.0009 -0.0174 -0.1760 -0.0115 -0.0056 0.0099 -0.8745 0.0447 -0.0020 0.0312 0.0923 0.0330 0.0103 0.1911 -0.2154 0.0040 -0.1131 0.1260 -0.0112 0.0041 0.1597 0.0142 0.0706 -0.1293 -0.0009 -0.0453 -0.0265 -0.0006 -0.0649 -0.0007 -0.0048 0.0048 0.0333 -0.0153 -0.0053 -0.0214 0.0503 -0.0180 -0.0322 0.0174 -0.0876 0.0096 -0.0092 -0.0009 -0.0016 -0.0093 0.0134 -0.0065 -0.0194 0.0075 0.0143 585. (0.00322) RY ( 2) C 10 s( 1.69%)p52.84( 89.12%)d 4.13( 6.97%) f 1.30( 2.19%)g 0.02( 0.04%) 0.0000 0.0069 0.1256 0.0293 0.0084 -0.0105 -0.0007 0.0385 0.7849 0.0243 0.0189 0.0221 -0.1061 0.0816 0.0169 0.0001 -0.5040 0.0021 0.0009 0.0518 -0.0808 0.0102 -0.1376 0.0910 -0.0030 0.0206 0.0437 0.0067 0.0565 -0.1609 -0.0068 -0.0108 0.0365 -0.0147 0.0387 -0.0215 -0.0036 -0.0005 0.0405 -0.0069 -0.0911 0.0142 -0.0780 0.0112 0.0109 0.0099 0.0521 -0.0239 0.0020 0.0014 0.0052 -0.0096 0.0020 0.0072 -0.0094 -0.0051 0.0085 586. (0.00139) RY ( 3) C 10 s( 22.47%)p 2.36( 52.97%)d 1.03( 23.08%) f 0.06( 1.42%)g 0.00( 0.06%) 0.0000 -0.0020 0.4735 0.0153 0.0136 0.0086 -0.0007 0.0120 -0.4519 0.0472 -0.0103 -0.0115 0.2095 0.1294 0.0085 0.0096 -0.4985 0.1165 -0.0093 0.1945 -0.0336 0.0108 -0.2024 0.1597 -0.0148 0.3330 0.0371 0.0190 -0.0300 0.0686 -0.0041 -0.0737 0.0312 -0.0171 -0.0351 -0.0006 -0.0212 0.0006 0.0911 -0.0053 -0.0220 -0.0010 0.0217 0.0068 -0.0462 -0.0079 -0.0269 0.0168 -0.0096 -0.0065 0.0038 0.0047 -0.0091 -0.0143 0.0037 -0.0098 -0.0060 587. (0.00079) RY ( 4) C 10 s( 14.87%)p 1.79( 26.62%)d 3.59( 53.44%) f 0.33( 4.86%)g 0.01( 0.21%) 0.0000 -0.0058 0.3649 -0.1240 -0.0109 -0.0074 0.0015 0.0049 0.2108 0.2415 0.0672 -0.0018 0.0428 0.0560 0.0449 0.0053 0.2829 -0.2615 -0.0594 0.0597 -0.0696 0.0566 0.1634 0.2254 0.0253 0.0594 0.1913 -0.0249 -0.0098 0.4298 -0.0156 -0.2048 -0.4180 -0.0464 -0.1000 -0.0374 -0.0042 0.0456 -0.1112 -0.0091 -0.0356 -0.0029 0.0893 0.0140 0.0652 -0.0220 0.0845 0.0364 -0.0157 -0.0049 -0.0224 0.0170 0.0160 0.0062 0.0130 -0.0126 0.0211 588. (0.00073) RY ( 5) C 10 s( 26.56%)p 0.62( 16.49%)d 1.90( 50.59%) f 0.21( 5.66%)g 0.03( 0.70%) 0.0000 0.0066 0.4702 -0.2106 0.0084 -0.0019 0.0003 0.0237 0.0128 -0.3062 -0.0547 0.0036 0.0241 -0.1016 -0.0644 0.0334 0.1602 -0.1587 0.0195 -0.3395 -0.0763 -0.0731 -0.2992 0.0863 -0.0439 -0.3202 -0.1839 -0.0526 -0.1534 -0.1352 0.0079 -0.2008 0.2425 -0.0226 0.0413 0.0361 -0.1196 0.0538 -0.0697 0.0120 -0.0224 0.0358 0.0987 -0.0463 0.1157 0.0078 -0.0644 -0.0111 0.0348 0.0016 -0.0030 0.0519 0.0233 0.0014 -0.0019 -0.0029 0.0505 589. (0.00047) RY ( 6) C 10 s( 0.63%)p26.99( 16.88%)d80.75( 50.50%) f49.70( 31.09%)g 1.44( 0.90%) 0.0000 -0.0113 0.0628 0.0296 -0.0125 -0.0338 -0.0001 0.0015 0.2219 -0.1460 -0.0577 -0.0087 -0.0986 0.2232 -0.0159 -0.0113 0.1240 0.0589 0.1270 -0.0222 0.1708 -0.0447 0.1453 -0.2787 -0.0242 0.4557 -0.0665 0.0154 -0.2286 0.1802 0.0764 -0.1090 0.2410 -0.0351 -0.0939 0.0473 0.0004 -0.0228 0.0065 0.0246 0.0361 -0.0305 0.2710 -0.0640 -0.0209 -0.0098 -0.4457 0.1406 0.0081 -0.0269 -0.0077 0.0347 -0.0060 -0.0375 0.0011 0.0590 -0.0451 590. (0.00045) RY ( 7) C 10 s( 1.42%)p 9.55( 13.52%)d26.43( 37.42%) f32.49( 46.01%)g 1.15( 1.63%) 0.0000 -0.0052 0.1144 -0.0104 -0.0185 -0.0246 0.0001 -0.0110 -0.0277 -0.0445 0.2149 -0.0101 -0.1644 0.1272 0.0972 0.0074 0.1660 0.0081 -0.0758 -0.1189 0.3700 0.0314 0.1006 -0.0443 0.0237 0.3242 -0.1287 -0.0424 -0.1168 -0.1876 -0.0245 -0.1665 0.0833 -0.0445 -0.0115 -0.0033 0.0320 -0.0169 0.1635 -0.0368 -0.2311 0.0594 -0.3254 0.1252 0.2138 -0.0686 0.4299 -0.1296 -0.0032 0.0081 0.0018 -0.0453 -0.0305 0.0638 0.0351 -0.0891 0.0002 591. (0.00023) RY ( 8) C 10 s( 9.85%)p 1.34( 13.15%)d 6.73( 66.29%) f 1.03( 10.10%)g 0.06( 0.61%) 0.0000 -0.0026 0.3035 0.0641 -0.0470 -0.0069 0.0032 -0.0094 0.0681 0.0402 -0.1451 0.0007 -0.0061 -0.2740 0.0390 -0.0249 0.1619 0.0251 0.0019 0.1376 -0.2306 0.0396 0.0892 -0.0342 -0.0342 0.1869 -0.2903 -0.0189 -0.1838 -0.0900 0.0190 0.6341 -0.0968 0.0750 0.1133 0.0084 0.1903 -0.0293 0.0075 0.0179 -0.1281 0.0624 -0.0003 -0.0356 0.1631 -0.0339 -0.0098 -0.0351 0.0237 -0.0081 -0.0359 -0.0148 -0.0097 0.0306 0.0459 0.0284 -0.0073 592. (0.00013) RY ( 9) C 10 s( 0.53%)p99.99( 54.24%)d68.41( 36.15%) f14.52( 7.67%)g 2.67( 1.41%) 0.0000 -0.0042 0.0026 0.0068 0.0721 -0.0045 -0.0002 0.0249 0.0775 -0.3515 -0.0611 -0.0075 -0.0084 -0.0044 0.1272 -0.0007 0.1088 0.6165 0.0177 -0.2800 -0.0559 0.0751 -0.2024 0.1216 -0.0377 0.0775 -0.0210 0.0397 0.2503 0.3162 -0.0496 0.0376 -0.2008 0.0476 -0.1241 -0.0225 0.0725 -0.0267 -0.1052 0.0208 -0.0912 -0.0021 -0.1792 0.0298 0.0013 0.0128 -0.0346 -0.0254 -0.0432 -0.0015 0.0020 -0.0518 -0.0048 0.0053 0.0855 -0.0101 -0.0456 593. (0.00012) RY (10) C 10 s( 1.03%)p15.04( 15.51%)d52.41( 54.02%) f27.92( 28.78%)g 0.64( 0.66%) 0.0000 0.0090 0.0926 -0.0082 -0.0283 0.0279 0.0020 0.0002 0.0234 -0.0641 0.0166 0.0119 -0.0071 -0.3586 0.0214 0.0047 -0.0574 0.0759 -0.1087 0.0394 -0.1323 -0.0019 0.3091 -0.0604 0.0450 0.1186 -0.1674 -0.0163 0.5322 0.0039 0.0458 -0.2680 0.1326 -0.0528 0.0715 -0.0005 0.0492 0.0146 0.2185 -0.0762 0.3072 -0.0106 0.1843 -0.0415 0.2949 -0.0870 0.0424 -0.0003 0.0020 0.0341 -0.0062 0.0188 0.0250 0.0495 0.0352 0.0160 0.0216 594. (0.00008) RY (11) C 10 s( 13.71%)p 1.18( 16.12%)d 3.38( 46.30%) f 1.69( 23.11%)g 0.06( 0.76%) 595. (0.00006) RY (12) C 10 s( 3.69%)p12.38( 45.66%)d 5.88( 21.68%) f 7.46( 27.53%)g 0.39( 1.43%) 596. (0.00004) RY (13) C 10 s( 10.34%)p 2.21( 22.88%)d 4.57( 47.21%) f 1.01( 10.48%)g 0.88( 9.10%) 597. (0.00004) RY (14) C 10 s( 3.61%)p 5.47( 19.74%)d 8.77( 31.63%) f12.08( 43.55%)g 0.41( 1.47%) 598. (0.00003) RY (15) C 10 s( 4.07%)p 5.59( 22.73%)d 3.40( 13.83%) f14.21( 57.79%)g 0.39( 1.58%) 599. (0.00002) RY (16) C 10 s( 3.05%)p 8.57( 26.18%)d15.22( 46.49%) f 6.96( 21.26%)g 0.99( 3.01%) 600. (0.00002) RY (17) C 10 s( 9.39%)p 4.91( 46.10%)d 2.84( 26.67%) f 1.79( 16.81%)g 0.11( 1.03%) 601. (0.00001) RY (18) C 10 s( 4.40%)p 0.41( 1.79%)d 3.95( 17.38%) f13.90( 61.23%)g 3.45( 15.20%) 602. (0.00001) RY (19) C 10 s( 14.70%)p 0.41( 6.08%)d 2.31( 33.94%) f 2.48( 36.42%)g 0.60( 8.85%) 603. (0.00001) RY (20) C 10 s( 1.14%)p19.69( 22.41%)d23.24( 26.46%) f34.78( 39.59%)g 9.14( 10.40%) 604. (0.00001) RY (21) C 10 s( 6.94%)p 3.13( 21.77%)d 6.93( 48.09%) f 2.97( 20.65%)g 0.37( 2.55%) 605. (0.00001) RY (22) C 10 s( 1.79%)p 8.49( 15.24%)d28.15( 50.51%) f16.55( 29.69%)g 1.54( 2.77%) 606. (0.00000) RY (23) C 10 s( 21.63%)p 0.65( 14.02%)d 1.84( 39.83%) f 1.01( 21.89%)g 0.12( 2.63%) 607. (0.00000) RY (24) C 10 s( 12.11%)p 0.40( 4.83%)d 1.35( 16.40%) f 1.35( 16.41%)g 4.15( 50.25%) 608. (0.00000) RY (25) C 10 s( 11.85%)p 0.35( 4.11%)d 2.49( 29.54%) f 3.23( 38.25%)g 1.37( 16.24%) 609. (0.00000) RY (26) C 10 s( 2.62%)p 9.08( 23.81%)d 7.29( 19.12%) f11.61( 30.46%)g 9.14( 23.99%) 610. (0.00000) RY (27) C 10 s( 9.38%)p 0.58( 5.46%)d 1.93( 18.15%) f 5.63( 52.83%)g 1.51( 14.18%) 611. (0.00000) RY (28) C 10 s( 7.08%)p 5.48( 38.80%)d 2.29( 16.19%) f 1.65( 11.65%)g 3.71( 26.27%) 612. (0.00000) RY (29) C 10 s( 4.29%)p 9.11( 39.05%)d 6.85( 29.35%) f 2.64( 11.31%)g 3.73( 16.01%) 613. (0.00000) RY (30) C 10 s( 1.51%)p 2.36( 3.57%)d39.97( 60.38%) f15.30( 23.11%)g 7.57( 11.43%) 614. (0.00000) RY (31) C 10 s( 17.27%)p 1.14( 19.69%)d 1.78( 30.69%) f 1.23( 21.28%)g 0.64( 11.07%) 615. (0.00000) RY (32) C 10 s( 21.49%)p 0.41( 8.85%)d 1.38( 29.68%) f 1.53( 32.94%)g 0.33( 7.04%) 616. (0.00000) RY (33) C 10 s( 3.25%)p 5.86( 19.06%)d13.91( 45.23%) f 8.23( 26.77%)g 1.75( 5.68%) 617. (0.00000) RY (34) C 10 s( 3.14%)p 9.40( 29.56%)d11.76( 36.97%) f 9.17( 28.83%)g 0.48( 1.50%) 618. (0.00000) RY (35) C 10 s( 56.22%)p 0.00( 0.11%)d 0.09( 5.14%) f 0.21( 11.90%)g 0.47( 26.63%) 619. (0.00000) RY (36) C 10 s( 8.75%)p 0.03( 0.24%)d 0.86( 7.51%) f 3.25( 28.48%)g 6.29( 55.01%) 620. (0.00000) RY (37) C 10 s( 14.04%)p 0.04( 0.61%)d 1.42( 20.01%) f 2.52( 35.34%)g 2.14( 30.00%) 621. (0.00000) RY (38) C 10 s( 6.64%)p 0.03( 0.23%)d 0.90( 5.98%) f 9.09( 60.37%)g 4.03( 26.78%) 622. (0.00000) RY (39) C 10 s( 4.15%)p 0.17( 0.72%)d 4.44( 18.40%) f10.01( 41.49%)g 8.50( 35.24%) 623. (0.00000) RY (40) C 10 s( 2.09%)p 0.57( 1.19%)d 5.39( 11.27%) f 7.26( 15.17%)g33.62( 70.28%) 624. (0.00000) RY (41) C 10 s( 8.02%)p 0.42( 3.38%)d 2.65( 21.27%) f 5.29( 42.48%)g 3.10( 24.84%) 625. (0.00000) RY (42) C 10 s( 2.67%)p 1.05( 2.80%)d 3.48( 9.29%) f14.80( 39.48%)g17.15( 45.77%) 626. (0.00000) RY (43) C 10 s( 2.88%)p 0.55( 1.59%)d 4.44( 12.81%) f20.37( 58.75%)g 8.31( 23.97%) 627. (0.00000) RY (44) C 10 s( 12.06%)p 0.49( 5.87%)d 1.95( 23.47%) f 4.45( 53.68%)g 0.41( 4.91%) 628. (0.00000) RY (45) C 10 s( 3.18%)p 0.91( 2.88%)d 8.83( 28.02%) f 5.25( 16.68%)g15.51( 49.25%) 629. (0.00000) RY (46) C 10 s( 5.18%)p 0.28( 1.47%)d 2.24( 11.59%) f 5.54( 28.70%)g10.23( 53.05%) 630. (0.00000) RY (47) C 10 s( 4.79%)p 0.64( 3.08%)d 5.80( 27.78%) f 4.33( 20.75%)g 9.10( 43.61%) 631. (0.00000) RY (48) C 10 s( 6.18%)p 0.98( 6.06%)d 4.75( 29.37%) f 4.49( 27.75%)g 4.96( 30.64%) 632. (0.00000) RY (49) C 10 s( 34.94%)p 0.07( 2.40%)d 0.72( 25.01%) f 0.46( 16.08%)g 0.62( 21.57%) 633. (0.00000) RY (50) C 10 s( 25.72%)p 0.11( 2.96%)d 1.33( 34.10%) f 0.30( 7.76%)g 1.15( 29.45%) 634. (0.00000) RY (51) C 10 s( 20.09%)p 0.07( 1.36%)d 1.09( 21.81%) f 0.97( 19.51%)g 1.85( 37.24%) 635. (0.00000) RY (52) C 10 s( 10.09%)p 0.69( 6.96%)d 1.00( 10.09%) f 3.16( 31.93%)g 4.06( 40.93%) 636. (0.00049) RY ( 1) H 11 s( 86.25%)p 0.10( 8.79%)d 0.05( 4.49%) f 0.01( 0.46%) 0.0028 0.9270 0.0571 0.0018 0.0724 -0.0590 0.0195 0.0080 0.2592 -0.0751 0.0388 0.0628 -0.0226 0.0067 0.0061 -0.0491 -0.0002 -0.0667 0.0161 0.0960 0.0099 0.1685 0.0031 -0.0017 -0.0069 -0.0012 -0.0041 -0.0168 0.0258 -0.0598 637. (0.00043) RY ( 2) H 11 s( 29.07%)p 1.80( 52.34%)d 0.59( 17.18%) f 0.05( 1.41%) -0.0033 -0.1183 0.5258 -0.0128 0.5257 0.1586 -0.0790 0.2525 0.0396 -0.0182 0.1799 0.3416 0.0312 -0.3643 0.0404 -0.0887 0.0204 0.0622 -0.0195 0.1520 -0.0366 -0.0152 -0.0159 -0.0159 -0.0260 0.0342 -0.0347 -0.0054 -0.0842 -0.0605 638. (0.00033) RY ( 3) H 11 s( 31.43%)p 1.40( 44.13%)d 0.72( 22.75%) f 0.05( 1.69%) -0.0059 0.0192 0.5599 -0.0181 -0.4763 -0.2119 0.0899 0.0150 -0.0937 0.0171 -0.0186 0.3774 0.0970 0.3021 -0.0442 -0.0529 0.0069 0.2911 -0.0527 -0.1931 0.0004 0.0738 -0.0349 0.0067 0.0149 0.0406 0.0254 -0.0244 0.0816 0.0844 639. (0.00021) RY ( 4) H 11 s( 9.55%)p 4.11( 39.25%)d 5.32( 50.80%) f 0.04( 0.41%) 0.0001 0.0096 0.2941 0.0943 -0.1033 0.0602 0.0254 -0.1081 -0.0971 0.0779 0.5641 -0.1265 -0.1269 0.1192 -0.0287 0.2063 -0.0299 -0.6382 0.0855 -0.1542 -0.0009 -0.1037 0.0172 -0.0211 -0.0038 0.0007 -0.0364 -0.0159 -0.0071 0.0450 640. (0.00015) RY ( 5) H 11 s( 23.00%)p 3.06( 70.35%)d 0.26( 6.09%) f 0.02( 0.56%) 0.0010 -0.0541 0.4765 0.0032 0.0506 0.1345 0.0347 0.1932 0.1898 0.0467 -0.5047 -0.5795 -0.1252 0.1098 -0.0203 -0.0255 -0.0170 -0.1336 0.0429 -0.0582 -0.0011 0.1560 0.0067 0.0409 0.0098 -0.0175 0.0469 0.0209 0.0296 -0.0024 641. (0.00004) RY ( 6) H 11 s( 7.64%)p 8.12( 62.07%)d 3.12( 23.83%) f 0.85( 6.46%) 642. (0.00002) RY ( 7) H 11 s( 3.30%)p15.13( 49.88%)d13.76( 45.35%) f 0.45( 1.47%) 643. (0.00001) RY ( 8) H 11 s( 5.04%)p13.07( 65.91%)d 4.35( 21.94%) f 1.41( 7.10%) 644. (0.00001) RY ( 9) H 11 s( 3.77%)p10.03( 37.82%)d10.32( 38.89%) f 5.18( 19.52%) 645. (0.00001) RY (10) H 11 s( 1.24%)p13.68( 17.01%)d52.14( 64.85%) f13.58( 16.89%) 646. (0.00001) RY (11) H 11 s( 0.88%)p31.83( 28.14%)d74.46( 65.82%) f 5.84( 5.16%) 647. (0.00000) RY (12) H 11 s( 0.74%)p68.48( 50.65%)d31.63( 23.39%) f34.09( 25.21%) 648. (0.00000) RY (13) H 11 s( 0.77%)p41.89( 32.17%)d37.48( 28.78%) f49.86( 38.29%) 649. (0.00000) RY (14) H 11 s( 4.64%)p 2.03( 9.40%)d 2.31( 10.73%) f16.22( 75.24%) 650. (0.00000) RY (15) H 11 s( 5.62%)p 3.50( 19.67%)d 3.15( 17.69%) f10.14( 57.02%) 651. (0.00000) RY (16) H 11 s( 9.66%)p 4.74( 45.77%)d 1.90( 18.38%) f 2.71( 26.19%) 652. (0.00000) RY (17) H 11 s( 6.29%)p 4.60( 28.94%)d 7.20( 45.29%) f 3.09( 19.47%) 653. (0.00000) RY (18) H 11 s( 19.14%)p 2.02( 38.56%)d 1.48( 28.31%) f 0.73( 13.99%) 654. (0.00000) RY (19) H 11 s( 26.92%)p 1.46( 39.26%)d 1.04( 28.09%) f 0.21( 5.73%) 655. (0.00000) RY (20) H 11 s( 24.24%)p 1.89( 45.92%)d 1.01( 24.59%) f 0.22( 5.25%) 656. (0.00000) RY (21) H 11 s( 0.04%)p53.17( 1.90%)d99.99( 82.34%) f99.99( 15.72%) 657. (0.00000) RY (22) H 11 s( 0.01%)p 1.00( 1.74%)d55.78( 96.97%) f 0.74( 1.28%) 658. (0.00000) RY (23) H 11 s( 0.06%)p99.99( 9.71%)d99.99( 24.98%) f99.99( 65.25%) 659. (0.00000) RY (24) H 11 s( 0.08%)p99.99( 13.36%)d99.99( 45.62%) f99.99( 40.93%) 660. (0.00000) RY (25) H 11 s( 0.05%)p99.99( 10.75%)d99.99( 37.29%) f99.99( 51.91%) 661. (0.00000) RY (26) H 11 s( 0.10%)p99.99( 13.98%)d99.99( 14.49%) f99.99( 71.43%) 662. (0.00000) RY (27) H 11 s( 0.13%)p99.99( 15.38%)d99.99( 38.85%) f99.99( 45.63%) 663. (0.00000) RY (28) H 11 s( 0.21%)p99.99( 26.23%)d99.99( 38.08%) f99.99( 35.48%) 664. (0.00000) RY (29) H 11 s( 0.26%)p80.10( 20.82%)d99.99( 34.09%) f99.99( 44.82%) 665. (0.00055) RY ( 1) H 12 s( 88.08%)p 0.10( 9.08%)d 0.03( 2.49%) f 0.00( 0.35%) -0.0002 0.9383 0.0197 0.0029 -0.0300 -0.2745 0.0382 0.0272 0.0394 -0.0010 -0.0431 -0.0941 -0.0065 0.0289 0.0035 -0.0780 -0.0187 -0.0310 0.0034 -0.0492 -0.0134 0.1185 0.0012 0.0069 -0.0006 0.0023 -0.0146 0.0176 -0.0527 0.0126 666. (0.00049) RY ( 2) H 12 s( 0.04%)p99.99( 73.96%)d99.99( 24.26%) f41.92( 1.73%) -0.0002 0.0193 -0.0063 -0.0014 -0.0314 -0.0162 0.0035 -0.7850 -0.2899 0.0727 -0.1681 -0.0658 0.0149 -0.4644 0.0709 -0.1049 0.0149 -0.0802 0.0035 -0.0569 0.0069 -0.0309 0.0015 0.0082 -0.0132 0.0172 -0.0304 -0.0367 -0.0251 -0.1179 667. (0.00036) RY ( 3) H 12 s( 19.15%)p 2.62( 50.17%)d 1.59( 30.48%) f 0.01( 0.20%) -0.0051 -0.0594 0.4291 -0.0616 0.0074 -0.0565 -0.0118 0.1396 -0.0344 -0.0180 -0.6661 0.1628 0.0842 0.0899 -0.0164 -0.4908 0.0859 0.0217 -0.0008 0.1820 -0.0267 -0.1173 0.0091 -0.0186 -0.0285 0.0133 0.0022 0.0149 -0.0208 0.0005 668. (0.00020) RY ( 4) H 12 s( 68.19%)p 0.27( 18.46%)d 0.19( 12.96%) f 0.01( 0.39%) -0.0033 0.0011 0.8244 0.0486 -0.2321 0.0174 -0.0338 -0.0625 -0.0322 0.0132 0.3109 0.1567 -0.0546 -0.0511 0.0016 0.2260 -0.0246 -0.1002 0.0051 -0.0267 0.0526 0.2450 -0.0415 -0.0343 -0.0105 0.0020 0.0471 -0.0042 0.0085 -0.0160 669. (0.00010) RY ( 5) H 12 s( 4.16%)p18.22( 75.84%)d 4.53( 18.85%) f 0.27( 1.14%) -0.0005 0.1459 -0.1162 -0.0827 -0.0427 -0.0399 -0.0277 -0.0655 -0.1592 -0.0440 0.3273 0.7525 0.2221 0.0091 -0.0144 -0.1037 0.0746 0.1078 -0.0063 0.1447 -0.0078 -0.3729 0.0142 -0.0560 0.0217 0.0015 0.0781 -0.0216 0.0249 -0.0247 670. (0.00004) RY ( 6) H 12 s( 8.03%)p 8.65( 69.49%)d 1.98( 15.89%) f 0.82( 6.58%) 671. (0.00002) RY ( 7) H 12 s( 0.01%)p 1.00( 50.03%)d 0.99( 49.62%) f 0.01( 0.34%) 672. (0.00001) RY ( 8) H 12 s( 0.10%)p99.99( 46.68%)d99.99( 14.95%) f99.99( 38.27%) 673. (0.00001) RY ( 9) H 12 s( 4.74%)p14.95( 70.90%)d 4.98( 23.62%) f 0.16( 0.74%) 674. (0.00001) RY (10) H 12 s( 0.41%)p 5.87( 2.42%)d99.99( 95.84%) f 3.20( 1.32%) 675. (0.00000) RY (11) H 12 s( 2.50%)p12.75( 31.89%)d23.51( 58.81%) f 2.72( 6.80%) 676. (0.00001) RY (12) H 12 s( 9.03%)p 5.39( 48.64%)d 4.01( 36.23%) f 0.68( 6.10%) 677. (0.00000) RY (13) H 12 s( 0.01%)p 1.00( 9.73%)d 4.26( 41.44%) f 5.02( 48.83%) 678. (0.00000) RY (14) H 12 s( 3.28%)p 2.69( 8.80%)d 7.66( 25.09%) f19.19( 62.84%) 679. (0.00000) RY (15) H 12 s( 3.52%)p 9.33( 32.84%)d 0.72( 2.53%) f17.36( 61.11%) 680. (0.00000) RY (16) H 12 s( 24.24%)p 0.88( 21.38%)d 0.53( 12.93%) f 1.71( 41.45%) 681. (0.00000) RY (17) H 12 s( 37.62%)p 0.11( 3.99%)d 0.92( 34.72%) f 0.63( 23.66%) 682. (0.00000) RY (18) H 12 s( 9.32%)p 3.99( 37.16%)d 3.65( 33.99%) f 2.10( 19.53%) 683. (0.00000) RY (19) H 12 s( 0.52%)p99.99( 53.89%)d10.23( 5.31%) f77.63( 40.29%) 684. (0.00000) RY (20) H 12 s( 14.94%)p 1.96( 29.22%)d 3.54( 52.92%) f 0.20( 2.92%) 685. (0.00000) RY (21) H 12 s( 0.06%)p74.05( 4.57%)d99.99( 79.11%) f99.99( 16.26%) 686. (0.00000) RY (22) H 12 s( 0.17%)p99.99( 19.94%)d99.99( 59.37%) f99.99( 20.51%) 687. (0.00000) RY (23) H 12 s( 0.01%)p 1.00( 1.79%)d44.00( 78.58%) f10.99( 19.63%) 688. (0.00000) RY (24) H 12 s( 0.00%)p 1.00( 48.21%)d 0.36( 17.53%) f 0.71( 34.26%) 689. (0.00000) RY (25) H 12 s( 0.27%)p92.20( 24.79%)d99.99( 29.22%) f99.99( 45.72%) 690. (0.00000) RY (26) H 12 s( 0.90%)p 4.94( 4.43%)d34.29( 30.78%) f71.17( 63.89%) 691. (0.00000) RY (27) H 12 s( 0.26%)p17.19( 4.50%)d99.99( 41.83%) f99.99( 53.40%) 692. (0.00000) RY (28) H 12 s( 0.01%)p99.99( 11.43%)d99.99( 36.45%) f99.99( 52.11%) 693. (0.00000) RY (29) H 12 s( 0.54%)p66.32( 35.67%)d63.58( 34.19%) f55.05( 29.60%) 694. (0.00049) RY ( 1) H 13 s( 83.79%)p 0.14( 11.36%)d 0.05( 4.36%) f 0.01( 0.48%) 0.0019 0.9128 0.0682 -0.0009 0.1112 -0.0666 0.0178 -0.0821 -0.2851 0.0736 0.0460 0.0212 0.0229 0.0382 -0.0099 -0.0534 -0.0017 -0.1207 -0.0063 0.0892 -0.0018 0.1289 -0.0077 -0.0086 -0.0005 -0.0046 0.0224 0.0054 0.0398 0.0507 695. (0.00040) RY ( 2) H 13 s( 23.80%)p 2.24( 53.34%)d 0.89( 21.14%) f 0.07( 1.72%) -0.0035 -0.1938 0.4475 -0.0132 0.5243 0.1681 -0.1034 -0.3468 -0.1313 0.0056 0.0658 0.2771 0.0293 0.3785 -0.0429 0.1007 0.0028 -0.0728 0.0354 0.1952 -0.0370 -0.1003 0.0070 -0.0264 -0.0043 0.0100 0.0041 0.0630 -0.0643 0.0907 696. (0.00033) RY ( 3) H 13 s( 32.94%)p 1.35( 44.50%)d 0.64( 21.07%) f 0.05( 1.50%) -0.0069 0.0036 0.5731 -0.0288 -0.4374 -0.1916 0.0723 -0.0069 -0.0546 -0.0712 0.0076 0.4427 0.0874 -0.1459 0.0286 -0.1669 0.0312 -0.1573 0.0613 -0.3307 0.0278 -0.1450 0.0115 -0.0357 0.0105 -0.0176 -0.0526 -0.0149 0.0449 -0.0909 697. (0.00020) RY ( 4) H 13 s( 11.67%)p 3.22( 37.55%)d 4.32( 50.38%) f 0.03( 0.40%) 0.0000 0.0380 0.3258 0.0952 -0.1071 0.0775 0.0245 -0.1325 0.1427 -0.0233 0.5362 -0.0895 -0.1530 -0.2096 0.0448 0.1814 -0.0200 0.5236 -0.0646 0.0798 -0.0295 0.3701 -0.0437 0.0019 0.0124 0.0387 -0.0355 0.0227 -0.0038 -0.0245 698. (0.00016) RY ( 5) H 13 s( 26.96%)p 2.52( 67.80%)d 0.17( 4.71%) f 0.02( 0.53%) -0.0009 0.0100 0.5190 0.0112 0.0394 0.1042 0.0166 0.0184 0.0831 0.0025 -0.5715 -0.5629 -0.1208 -0.0294 0.0254 -0.0631 -0.0073 -0.0181 -0.0221 -0.0532 -0.0218 0.1922 -0.0229 0.0131 -0.0148 -0.0536 0.0191 -0.0324 0.0014 -0.0248 699. (0.00004) RY ( 6) H 13 s( 9.56%)p 6.52( 62.36%)d 2.24( 21.39%) f 0.70( 6.69%) 700. (0.00002) RY ( 7) H 13 s( 1.71%)p28.87( 49.48%)d27.81( 47.67%) f 0.66( 1.13%) 701. (0.00001) RY ( 8) H 13 s( 4.01%)p15.83( 63.52%)d 5.61( 22.53%) f 2.47( 9.93%) 702. (0.00001) RY ( 9) H 13 s( 4.92%)p 7.73( 38.05%)d 8.19( 40.31%) f 3.40( 16.72%) 703. (0.00001) RY (10) H 13 s( 1.95%)p 8.91( 17.36%)d31.77( 61.89%) f 9.65( 18.81%) 704. (0.00001) RY (11) H 13 s( 1.17%)p22.58( 26.36%)d57.93( 67.65%) f 4.12( 4.82%) 705. (0.00000) RY (12) H 13 s( 0.37%)p75.22( 27.72%)d89.10( 32.84%) f99.99( 39.07%) 706. (0.00000) RY (13) H 13 s( 1.29%)p31.64( 40.76%)d16.49( 21.24%) f28.49( 36.71%) 707. (0.00000) RY (14) H 13 s( 1.12%)p29.28( 32.91%)d25.13( 28.24%) f33.58( 37.73%) 708. (0.00000) RY (15) H 13 s( 5.83%)p 1.42( 8.25%)d 1.88( 10.98%) f12.86( 74.94%) 709. (0.00000) RY (16) H 13 s( 4.61%)p 4.96( 22.84%)d 3.28( 15.11%) f12.47( 57.45%) 710. (0.00000) RY (17) H 13 s( 4.48%)p11.52( 51.58%)d 2.12( 9.49%) f 7.69( 34.46%) 711. (0.00000) RY (18) H 13 s( 18.09%)p 1.40( 25.38%)d 2.69( 48.59%) f 0.44( 7.94%) 712. (0.00000) RY (19) H 13 s( 12.39%)p 2.61( 32.40%)d 3.08( 38.12%) f 1.38( 17.09%) 713. (0.00000) RY (20) H 13 s( 32.04%)p 1.14( 36.64%)d 0.83( 26.47%) f 0.15( 4.85%) 714. (0.00000) RY (21) H 13 s( 16.48%)p 3.20( 52.73%)d 1.50( 24.79%) f 0.36( 5.99%) 715. (0.00000) RY (22) H 13 s( 0.01%)p98.69( 1.39%)d99.99( 93.88%) f99.99( 4.71%) 716. (0.00000) RY (23) H 13 s( 0.03%)p99.99( 2.96%)d99.99( 87.79%) f99.99( 9.22%) 717. (0.00000) RY (24) H 13 s( 0.05%)p99.99( 10.09%)d99.99( 26.91%) f99.99( 62.95%) 718. (0.00000) RY (25) H 13 s( 0.07%)p99.99( 11.28%)d99.99( 46.66%) f99.99( 41.99%) 719. (0.00000) RY (26) H 13 s( 0.11%)p99.99( 11.69%)d99.99( 44.98%) f99.99( 43.22%) 720. (0.00000) RY (27) H 13 s( 0.14%)p99.99( 14.74%)d99.99( 22.95%) f99.99( 62.18%) 721. (0.00000) RY (28) H 13 s( 0.22%)p52.82( 11.64%)d98.09( 21.62%) f99.99( 66.52%) 722. (0.00000) RY (29) H 13 s( 0.33%)p99.99( 33.21%)d99.99( 36.21%) f91.75( 30.26%) 723. (0.00183) RY ( 1) H 14 s( 89.79%)p 0.11( 9.94%)d 0.00( 0.25%) f 0.00( 0.02%) -0.0011 0.9475 -0.0136 0.0036 0.2435 0.0566 0.0468 0.0350 0.0373 -0.0142 -0.1743 0.0350 -0.0170 -0.0321 0.0008 0.0194 -0.0103 0.0026 0.0060 -0.0045 0.0049 -0.0304 -0.0026 -0.0094 0.0011 -0.0029 0.0050 -0.0046 0.0052 0.0038 724. (0.00054) RY ( 2) H 14 s( 5.00%)p15.40( 77.01%)d 3.26( 16.30%) f 0.34( 1.68%) -0.0003 0.1237 0.1850 -0.0227 -0.4941 -0.1869 0.0407 -0.6134 -0.1665 0.0314 -0.2727 -0.0975 0.0226 0.0731 -0.0111 0.1137 -0.0224 -0.0799 0.0128 0.3635 -0.0553 -0.0489 0.0038 0.0224 0.0142 0.0193 -0.0013 0.0378 -0.1058 0.0559 725. (0.00042) RY ( 3) H 14 s( 36.43%)p 1.48( 53.91%)d 0.25( 9.26%) f 0.01( 0.40%) 0.0024 0.1746 0.5770 -0.0292 -0.1867 -0.1689 0.0302 0.0244 0.1819 -0.0483 0.6621 0.0074 0.0145 -0.0140 0.0004 -0.1235 0.0174 0.2308 -0.0263 0.0074 0.0031 -0.1506 0.0118 0.0014 -0.0282 0.0077 0.0378 -0.0046 0.0297 0.0290 726. (0.00031) RY ( 4) H 14 s( 48.05%)p 0.82( 39.58%)d 0.25( 11.99%) f 0.01( 0.37%) -0.0022 -0.1413 0.6783 0.0219 0.1630 -0.1610 -0.0285 0.2134 0.1016 -0.0748 -0.5279 -0.0305 0.0380 -0.1006 0.0122 0.1905 -0.0309 -0.1285 0.0363 -0.2131 0.0383 -0.0875 0.0063 0.0074 0.0142 -0.0028 -0.0092 0.0096 0.0537 0.0200 727. (0.00011) RY ( 5) H 14 s( 4.15%)p14.82( 61.52%)d 7.98( 33.10%) f 0.30( 1.23%) 0.0061 -0.0047 0.1525 0.1348 0.0540 0.2429 -0.0251 0.0024 -0.1674 0.0274 -0.1467 -0.6738 -0.2200 0.1860 0.0314 -0.4200 0.0890 0.3049 -0.0624 -0.0310 -0.0146 0.1099 0.0310 0.0344 -0.0612 0.0347 -0.0038 0.0130 -0.0107 -0.0766 728. (0.00008) RY ( 6) H 14 s( 3.95%)p13.28( 52.43%)d 9.90( 39.09%) f 1.15( 4.53%) 729. (0.00004) RY ( 7) H 14 s( 15.21%)p 2.44( 37.14%)d 2.94( 44.74%) f 0.19( 2.90%) 730. (0.00003) RY ( 8) H 14 s( 5.52%)p11.30( 62.40%)d 5.25( 29.02%) f 0.55( 3.06%) 731. (0.00001) RY ( 9) H 14 s( 1.41%)p45.12( 63.60%)d23.52( 33.15%) f 1.31( 1.84%) 732. (0.00001) RY (10) H 14 s( 0.09%)p99.99( 53.06%)d77.55( 7.04%) f99.99( 39.81%) 733. (0.00000) RY (11) H 14 s( 0.28%)p85.57( 24.23%)d99.99( 70.06%) f19.14( 5.42%) 734. (0.00001) RY (12) H 14 s( 3.68%)p 3.92( 14.42%)d20.61( 75.78%) f 1.67( 6.13%) 735. (0.00000) RY (13) H 14 s( 0.16%)p99.99( 17.42%)d99.99( 36.10%) f99.99( 46.32%) 736. (0.00000) RY (14) H 14 s( 0.09%)p99.99( 29.76%)d99.99( 12.54%) f99.99( 57.62%) 737. (0.00000) RY (15) H 14 s( 1.07%)p17.42( 18.65%)d21.90( 23.45%) f53.09( 56.84%) 738. (0.00000) RY (16) H 14 s( 15.66%)p 2.82( 44.18%)d 1.52( 23.82%) f 1.04( 16.33%) 739. (0.00000) RY (17) H 14 s( 6.80%)p 7.52( 51.14%)d 2.22( 15.12%) f 3.96( 26.94%) 740. (0.00000) RY (18) H 14 s( 54.88%)p 0.37( 20.10%)d 0.30( 16.55%) f 0.15( 8.47%) 741. (0.00000) RY (19) H 14 s( 5.89%)p 3.00( 17.66%)d12.29( 72.35%) f 0.70( 4.11%) 742. (0.00000) RY (20) H 14 s( 0.11%)p18.03( 2.06%)d99.99( 63.65%) f99.99( 34.18%) 743. (0.00000) RY (21) H 14 s( 0.01%)p99.99( 2.90%)d99.99( 87.51%) f99.99( 9.57%) 744. (0.00000) RY (22) H 14 s( 0.59%)p 5.40( 3.16%)d59.96( 35.13%) f99.99( 61.12%) 745. (0.00000) RY (23) H 14 s( 0.02%)p99.99( 16.34%)d99.99( 27.35%) f99.99( 56.29%) 746. (0.00000) RY (24) H 14 s( 0.08%)p99.99( 10.32%)d99.99( 70.86%) f99.99( 18.73%) 747. (0.00000) RY (25) H 14 s( 0.15%)p99.99( 20.14%)d99.99( 17.64%) f99.99( 62.07%) 748. (0.00000) RY (26) H 14 s( 0.05%)p99.99( 22.39%)d99.99( 48.96%) f99.99( 28.60%) 749. (0.00000) RY (27) H 14 s( 0.35%)p99.99( 37.25%)d99.99( 39.99%) f63.15( 22.41%) 750. (0.00000) RY (28) H 14 s( 0.16%)p99.99( 27.95%)d99.99( 16.72%) f99.99( 55.17%) 751. (0.00000) RY (29) H 14 s( 0.47%)p19.89( 9.25%)d48.22( 22.44%) f99.99( 67.85%) 752. (0.00216) RY ( 1) H 15 s( 91.85%)p 0.09( 7.94%)d 0.00( 0.19%) f 0.00( 0.02%) 0.0001 0.9584 -0.0075 0.0029 0.2221 0.0537 0.0451 0.0054 -0.0529 0.0135 -0.1481 0.0128 -0.0084 0.0138 0.0030 0.0278 -0.0092 0.0147 -0.0022 0.0010 0.0026 -0.0238 -0.0048 -0.0046 0.0015 0.0051 0.0071 0.0014 0.0048 -0.0064 753. (0.00055) RY ( 2) H 15 s( 3.09%)p25.90( 79.95%)d 5.00( 15.42%) f 0.50( 1.55%) -0.0011 0.0902 0.1501 -0.0132 -0.3850 -0.1491 0.0334 0.7551 0.2126 -0.0399 -0.1045 -0.0039 0.0027 -0.1676 0.0280 0.0793 -0.0176 -0.0426 0.0077 0.3380 -0.0509 -0.0054 -0.0022 0.0018 0.0115 -0.0124 -0.0368 0.0190 -0.1158 -0.0085 754. (0.00044) RY ( 3) H 15 s( 32.27%)p 1.82( 58.68%)d 0.27( 8.68%) f 0.01( 0.37%) 0.0031 0.1730 0.5396 -0.0396 -0.2898 -0.1801 0.0436 -0.1933 -0.1002 0.0182 0.6458 -0.0538 0.0297 0.0266 -0.0031 -0.1147 0.0162 -0.0552 0.0102 0.0215 -0.0009 -0.2613 0.0278 -0.0163 -0.0252 -0.0208 0.0023 0.0154 -0.0034 -0.0460 755. (0.00034) RY ( 4) H 15 s( 55.11%)p 0.64( 35.47%)d 0.16( 8.97%) f 0.01( 0.46%) -0.0034 -0.1238 0.7316 0.0236 0.1955 -0.1617 -0.0135 -0.0228 -0.0998 0.0727 -0.5148 -0.0766 0.0584 0.0786 -0.0067 0.1808 -0.0312 0.1660 -0.0355 -0.1414 0.0241 0.0056 -0.0210 0.0087 -0.0003 0.0067 -0.0185 -0.0365 0.0433 -0.0298 756. (0.00012) RY ( 5) H 15 s( 4.95%)p 8.62( 42.73%)d10.53( 52.18%) f 0.03( 0.14%) -0.0016 -0.0361 0.1034 0.1937 0.2049 0.1337 0.0294 0.1350 0.2479 0.0725 -0.0943 -0.4695 -0.2287 0.1265 -0.0422 -0.6138 0.0980 -0.2980 0.0432 -0.0425 -0.0003 -0.1496 0.0528 -0.0045 -0.0176 -0.0205 -0.0001 0.0139 0.0127 0.0163 757. (0.00009) RY ( 6) H 15 s( 2.65%)p25.03( 66.34%)d 9.72( 25.75%) f 1.98( 5.26%) 758. (0.00005) RY ( 7) H 15 s( 9.86%)p 3.53( 34.80%)d 5.27( 51.92%) f 0.35( 3.42%) 759. (0.00003) RY ( 8) H 15 s( 10.38%)p 6.55( 68.03%)d 1.72( 17.84%) f 0.36( 3.75%) 760. (0.00001) RY ( 9) H 15 s( 0.90%)p67.42( 60.74%)d39.91( 35.96%) f 2.67( 2.40%) 761. (0.00001) RY (10) H 15 s( 0.80%)p73.76( 58.81%)d 7.64( 6.09%) f43.03( 34.31%) 762. (0.00001) RY (11) H 15 s( 3.42%)p 3.07( 10.48%)d24.33( 83.13%) f 0.87( 2.97%) 763. (0.00000) RY (12) H 15 s( 29.27%)p 0.57( 16.71%)d 1.31( 38.31%) f 0.54( 15.71%) 764. (0.00001) RY (13) H 15 s( 3.18%)p10.51( 33.41%)d17.86( 56.80%) f 2.08( 6.61%) 765. (0.00000) RY (14) H 15 s( 11.14%)p 2.14( 23.88%)d 5.19( 57.85%) f 0.64( 7.13%) 766. (0.00000) RY (15) H 15 s( 0.18%)p99.99( 21.01%)d99.99( 33.24%) f99.99( 45.57%) 767. (0.00000) RY (16) H 15 s( 1.33%)p15.83( 20.99%)d10.79( 14.31%) f47.79( 63.37%) 768. (0.00000) RY (17) H 15 s( 1.66%)p16.19( 26.88%)d13.50( 22.41%) f29.55( 49.05%) 769. (0.00000) RY (18) H 15 s( 22.21%)p 1.89( 42.04%)d 1.02( 22.72%) f 0.59( 13.04%) 770. (0.00000) RY (19) H 15 s( 13.74%)p 3.60( 49.41%)d 1.06( 14.59%) f 1.62( 22.27%) 771. (0.00000) RY (20) H 15 s( 0.11%)p12.59( 1.43%)d99.99( 67.89%) f99.99( 30.57%) 772. (0.00000) RY (21) H 15 s( 0.11%)p19.72( 2.22%)d99.99( 75.40%) f99.99( 22.27%) 773. (0.00000) RY (22) H 15 s( 0.58%)p 4.67( 2.70%)d75.85( 43.89%) f91.29( 52.82%) 774. (0.00000) RY (23) H 15 s( 0.01%)p 1.00( 23.01%)d 1.17( 26.93%) f 2.17( 50.05%) 775. (0.00000) RY (24) H 15 s( 0.11%)p22.07( 2.48%)d99.99( 73.53%) f99.99( 23.87%) 776. (0.00000) RY (25) H 15 s( 0.06%)p99.99( 21.11%)d99.99( 32.89%) f99.99( 45.93%) 777. (0.00000) RY (26) H 15 s( 0.21%)p99.99( 22.99%)d69.98( 14.91%) f99.99( 61.89%) 778. (0.00000) RY (27) H 15 s( 0.36%)p98.82( 35.21%)d82.42( 29.37%) f98.39( 35.06%) 779. (0.00000) RY (28) H 15 s( 0.11%)p99.99( 16.56%)d99.99( 39.23%) f99.99( 44.10%) 780. (0.00000) RY (29) H 15 s( 0.48%)p29.19( 13.89%)d62.23( 29.60%) f99.99( 56.04%) 781. (0.00098) RY ( 1) H 16 s( 73.46%)p 0.30( 22.13%)d 0.06( 4.41%) f 0.00( 0.01%) 0.0054 0.8529 0.0840 0.0053 -0.4040 -0.0456 -0.0386 0.0498 -0.0108 -0.0077 -0.2194 0.0481 0.0374 -0.0304 0.0045 0.1368 -0.0191 0.0373 -0.0095 0.0564 -0.0176 -0.1336 0.0351 0.0060 -0.0046 -0.0018 -0.0043 0.0023 -0.0025 0.0012 782. (0.00049) RY ( 2) H 16 s( 0.09%)p99.99( 73.44%)d99.99( 24.29%) f23.69( 2.18%) 0.0000 -0.0075 0.0294 -0.0003 0.0011 -0.0041 0.0008 0.7766 0.3113 -0.0556 0.1608 0.0727 -0.0129 -0.4109 0.0516 -0.0885 0.0108 0.2310 -0.0346 0.0456 -0.0067 0.0816 -0.0130 0.0073 -0.0303 0.0084 0.0324 -0.0855 -0.0222 0.1089 783. (0.00048) RY ( 3) H 16 s( 81.46%)p 0.16( 13.36%)d 0.06( 4.82%) f 0.00( 0.37%) -0.0004 -0.2321 0.8722 0.0046 -0.1703 -0.2440 0.0262 0.0031 -0.0409 0.0126 -0.1340 0.1479 -0.0516 0.0379 -0.0027 -0.1129 0.0046 0.0490 -0.0017 0.0443 0.0072 -0.1718 0.0035 0.0068 -0.0005 -0.0132 0.0217 0.0173 -0.0509 -0.0087 784. (0.00023) RY ( 4) H 16 s( 22.51%)p 1.82( 41.09%)d 1.61( 36.16%) f 0.01( 0.24%) 0.0014 0.3662 0.2961 -0.0578 0.1959 -0.0390 -0.1018 -0.1237 0.0287 0.0096 0.5702 -0.1316 -0.0440 0.0700 -0.0109 -0.3239 0.0521 -0.1123 0.0208 -0.2238 0.0123 0.4263 -0.0624 -0.0026 -0.0260 -0.0003 0.0050 -0.0032 0.0414 -0.0018 785. (0.00008) RY ( 5) H 16 s( 5.35%)p14.74( 78.80%)d 2.45( 13.12%) f 0.51( 2.73%) 786. (0.00005) RY ( 6) H 16 s( 3.44%)p21.65( 74.57%)d 4.90( 16.89%) f 1.48( 5.10%) 787. (0.00004) RY ( 7) H 16 s( 0.14%)p99.99( 53.58%)d99.99( 44.04%) f15.83( 2.25%) 788. (0.00002) RY ( 8) H 16 s( 0.22%)p99.99( 63.47%)d97.26( 21.73%) f65.28( 14.58%) 789. (0.00002) RY ( 9) H 16 s( 7.64%)p 6.61( 50.54%)d 5.37( 41.02%) f 0.11( 0.80%) 790. (0.00002) RY (10) H 16 s( 16.87%)p 2.65( 44.69%)d 2.11( 35.51%) f 0.17( 2.93%) 791. (0.00001) RY (11) H 16 s( 59.63%)p 0.27( 15.99%)d 0.29( 17.14%) f 0.12( 7.24%) 792. (0.00001) RY (12) H 16 s( 5.61%)p 2.19( 12.26%)d 8.95( 50.20%) f 5.69( 31.93%) 793. (0.00000) RY (13) H 16 s( 2.17%)p15.46( 33.51%)d27.33( 59.23%) f 2.35( 5.09%) 794. (0.00000) RY (14) H 16 s( 1.00%)p38.47( 38.58%)d47.43( 47.56%) f12.82( 12.86%) 795. (0.00000) RY (15) H 16 s( 1.75%)p16.95( 29.61%)d24.02( 41.95%) f15.28( 26.69%) 796. (0.00000) RY (16) H 16 s( 5.97%)p 5.55( 33.12%)d 6.57( 39.20%) f 3.64( 21.71%) 797. (0.00000) RY (17) H 16 s( 1.00%)p 2.92( 2.92%)d 9.04( 9.04%) f87.08( 87.04%) 798. (0.00000) RY (18) H 16 s( 8.69%)p 0.83( 7.21%)d 4.96( 43.05%) f 4.73( 41.05%) 799. (0.00000) RY (19) H 16 s( 2.20%)p18.28( 40.27%)d 4.33( 9.55%) f21.77( 47.97%) 800. (0.00000) RY (20) H 16 s( 0.03%)p34.28( 0.95%)d99.99( 90.33%) f99.99( 8.69%) 801. (0.00000) RY (21) H 16 s( 0.00%)p 1.00( 0.77%)d64.47( 49.51%) f64.73( 49.72%) 802. (0.00000) RY (22) H 16 s( 0.00%)p 1.00( 1.52%)d14.73( 22.38%) f50.10( 76.10%) 803. (0.00000) RY (23) H 16 s( 0.14%)p 9.71( 1.37%)d61.23( 8.63%) f99.99( 89.86%) 804. (0.00000) RY (24) H 16 s( 0.08%)p99.99( 24.27%)d99.99( 55.76%) f99.99( 19.90%) 805. (0.00000) RY (25) H 16 s( 0.00%)p 1.00( 19.35%)d 2.46( 47.54%) f 1.71( 33.11%) 806. (0.00000) RY (26) H 16 s( 0.44%)p99.99( 55.96%)d43.20( 19.15%) f55.17( 24.45%) 807. (0.00000) RY (27) H 16 s( 0.00%)p 1.00( 30.66%)d 1.05( 32.23%) f 1.21( 37.11%) 808. (0.00000) RY (28) H 16 s( 0.21%)p85.31( 18.31%)d99.99( 55.13%) f99.99( 26.35%) 809. (0.00000) RY (29) H 16 s( 0.00%)p 1.00( 17.64%)d 3.43( 60.43%) f 1.24( 21.93%) 810. (0.00075) RY ( 1) H 17 s( 85.34%)p 0.14( 12.00%)d 0.03( 2.45%) f 0.00( 0.21%) -0.0040 0.9232 -0.0333 -0.0035 0.2750 -0.0218 0.0186 0.0774 -0.1084 0.0639 0.1049 -0.1007 -0.0250 0.0031 0.0224 -0.0639 0.0069 -0.0336 0.0262 -0.0996 0.0012 -0.0900 -0.0032 0.0108 0.0046 0.0139 0.0120 -0.0221 0.0235 0.0244 811. (0.00047) RY ( 2) H 17 s( 5.98%)p12.13( 72.53%)d 3.30( 19.76%) f 0.29( 1.72%) -0.0013 0.1789 0.1668 0.0011 -0.7080 -0.2443 0.0572 0.1420 -0.0565 0.0033 0.3217 0.1823 -0.0313 0.3641 -0.0476 -0.0641 0.0114 -0.1568 0.0241 0.1768 -0.0291 -0.0354 -0.0034 -0.0323 0.0304 0.0123 -0.0676 0.0060 0.0840 -0.0588 812. (0.00032) RY ( 3) H 17 s( 29.09%)p 1.73( 50.42%)d 0.68( 19.70%) f 0.03( 0.79%) 0.0037 0.1421 0.5202 -0.0009 -0.2067 0.0315 -0.0138 -0.1095 -0.2794 0.0286 -0.6039 0.0303 0.0617 0.0500 -0.0044 -0.0141 -0.0054 0.4365 -0.0601 -0.0121 0.0034 -0.0039 0.0033 0.0281 -0.0271 -0.0064 -0.0032 -0.0561 -0.0242 0.0508 813. (0.00019) RY ( 4) H 17 s( 48.97%)p 0.81( 39.69%)d 0.22( 10.87%) f 0.01( 0.47%) 0.0044 -0.0995 0.6926 0.0036 0.2722 0.1369 -0.0168 -0.2451 -0.0956 -0.0248 0.4254 0.2290 -0.0232 -0.1382 -0.0006 -0.1779 0.0038 -0.2106 0.0197 -0.0930 0.0310 -0.0558 0.0217 -0.0421 -0.0063 -0.0064 -0.0386 0.0153 -0.0245 0.0233 814. (0.00012) RY ( 5) H 17 s( 6.03%)p 9.86( 59.50%)d 5.63( 33.96%) f 0.08( 0.50%) -0.0063 -0.1059 0.1692 -0.1429 -0.1260 -0.4355 -0.1589 0.0607 -0.0083 0.0470 -0.1513 -0.5498 -0.1817 -0.2240 0.0565 -0.1500 0.0173 -0.3193 0.0794 -0.2723 0.0440 -0.2814 -0.0028 0.0282 0.0222 0.0316 0.0292 -0.0184 0.0360 0.0158 815. (0.00004) RY ( 6) H 17 s( 2.53%)p24.84( 62.84%)d11.53( 29.17%) f 2.16( 5.46%) 816. (0.00003) RY ( 7) H 17 s( 21.58%)p 2.53( 54.64%)d 0.93( 20.05%) f 0.17( 3.73%) 817. (0.00002) RY ( 8) H 17 s( 6.29%)p 5.77( 36.30%)d 8.08( 50.81%) f 1.05( 6.60%) 818. (0.00001) RY ( 9) H 17 s( 5.67%)p10.93( 62.01%)d 4.98( 28.27%) f 0.71( 4.05%) 819. (0.00001) RY (10) H 17 s( 1.96%)p18.18( 35.56%)d13.78( 26.95%) f18.17( 35.53%) 820. (0.00001) RY (11) H 17 s( 1.64%)p12.36( 20.29%)d43.92( 72.12%) f 3.62( 5.95%) 821. (0.00000) RY (12) H 17 s( 0.40%)p99.99( 42.15%)d99.99( 49.95%) f18.61( 7.50%) 822. (0.00000) RY (13) H 17 s( 1.43%)p 2.87( 4.10%)d15.47( 22.14%) f50.54( 72.33%) 823. (0.00000) RY (14) H 17 s( 0.90%)p25.11( 22.52%)d22.58( 20.25%) f62.81( 56.33%) 824. (0.00000) RY (15) H 17 s( 4.61%)p 6.06( 27.90%)d 5.30( 24.42%) f 9.35( 43.07%) 825. (0.00000) RY (16) H 17 s( 0.38%)p84.32( 32.24%)d38.72( 14.80%) f99.99( 52.58%) 826. (0.00000) RY (17) H 17 s( 16.43%)p 1.35( 22.19%)d 3.40( 55.87%) f 0.34( 5.51%) 827. (0.00000) RY (18) H 17 s( 3.59%)p 8.95( 32.16%)d15.05( 54.03%) f 2.85( 10.22%) 828. (0.00000) RY (19) H 17 s( 24.02%)p 1.29( 30.95%)d 0.90( 21.51%) f 0.98( 23.52%) 829. (0.00000) RY (20) H 17 s( 31.89%)p 1.16( 37.00%)d 0.37( 11.66%) f 0.61( 19.44%) 830. (0.00000) RY (21) H 17 s( 0.02%)p72.30( 1.64%)d99.99( 88.88%) f99.99( 9.46%) 831. (0.00000) RY (22) H 17 s( 0.01%)p99.99( 4.23%)d99.99( 77.49%) f99.99( 18.27%) 832. (0.00000) RY (23) H 17 s( 0.02%)p99.99( 4.70%)d99.99( 36.06%) f99.99( 59.22%) 833. (0.00000) RY (24) H 17 s( 0.07%)p99.99( 35.31%)d99.99( 39.05%) f99.99( 25.58%) 834. (0.00000) RY (25) H 17 s( 0.59%)p15.72( 9.26%)d99.99( 70.02%) f34.15( 20.12%) 835. (0.00000) RY (26) H 17 s( 0.07%)p99.99( 40.60%)d99.99( 28.98%) f99.99( 30.35%) 836. (0.00000) RY (27) H 17 s( 0.06%)p99.99( 26.63%)d99.99( 40.52%) f99.99( 32.79%) 837. (0.00000) RY (28) H 17 s( 0.07%)p43.98( 2.94%)d99.99( 15.73%) f99.99( 81.27%) 838. (0.00000) RY (29) H 17 s( 0.49%)p36.28( 17.60%)d29.87( 14.49%) f99.99( 67.42%) 839. (0.00053) RY ( 1) H 18 s( 87.44%)p 0.11( 9.19%)d 0.03( 3.00%) f 0.00( 0.38%) 0.0012 0.9351 -0.0021 -0.0005 -0.0167 -0.2107 0.0423 -0.0058 0.1502 -0.0284 0.0148 0.1409 -0.0440 -0.0158 0.0049 0.1478 0.0018 -0.0818 -0.0050 0.0312 -0.0014 0.0117 -0.0071 0.0081 -0.0032 0.0189 0.0050 -0.0360 0.0066 0.0444 840. (0.00042) RY ( 2) H 18 s( 0.03%)p99.99( 71.65%)d99.99( 25.96%) f67.20( 2.35%) 0.0022 0.0152 -0.0070 0.0081 0.3842 0.1558 -0.0453 0.6735 0.2361 -0.0983 -0.1509 -0.0175 0.0236 0.1853 -0.0288 -0.1984 0.0308 -0.2196 0.0274 0.3433 -0.0566 0.1171 -0.0188 -0.0149 0.0431 0.0186 -0.1050 -0.0325 0.0932 -0.0178 841. (0.00025) RY ( 3) H 18 s( 24.57%)p 1.73( 42.43%)d 1.32( 32.47%) f 0.02( 0.52%) -0.0094 -0.0441 0.4874 -0.0786 0.2056 -0.1536 -0.0857 0.0189 0.0480 0.0023 0.5710 -0.1337 -0.0672 -0.3071 0.0218 0.0087 -0.0305 -0.1177 0.0434 0.2441 -0.0359 -0.3846 0.0668 0.0594 0.0211 0.0027 -0.0153 0.0308 0.0024 -0.0049 842. (0.00017) RY ( 4) H 18 s( 33.79%)p 1.76( 59.58%)d 0.16( 5.48%) f 0.03( 1.15%) -0.0069 0.0646 0.5775 -0.0131 -0.4751 -0.1426 -0.0782 0.2109 0.0093 0.0468 -0.3289 -0.4345 0.0026 0.0035 -0.0375 -0.1048 -0.0390 0.0840 0.0295 -0.0437 0.0103 0.1759 0.0033 0.0006 0.0612 -0.0485 -0.0082 0.0688 -0.0191 -0.0140 843. (0.00016) RY ( 5) H 18 s( 27.71%)p 1.70( 46.97%)d 0.91( 25.14%) f 0.01( 0.18%) -0.0024 0.0066 0.5107 0.1275 0.0510 0.3476 0.1056 -0.0064 -0.1677 -0.0242 0.1940 0.4813 0.1926 0.0831 -0.0604 0.1887 -0.0043 0.0513 -0.0033 -0.0229 0.0296 0.4429 -0.0709 0.0237 -0.0238 0.0145 0.0129 0.0094 -0.0113 -0.0078 844. (0.00003) RY ( 6) H 18 s( 11.81%)p 5.14( 60.64%)d 2.01( 23.73%) f 0.32( 3.83%) 845. (0.00002) RY ( 7) H 18 s( 3.48%)p15.73( 54.68%)d11.74( 40.80%) f 0.30( 1.04%) 846. (0.00001) RY ( 8) H 18 s( 1.18%)p25.43( 30.08%)d34.63( 40.96%) f23.49( 27.78%) 847. (0.00001) RY ( 9) H 18 s( 0.57%)p78.53( 44.71%)d86.97( 49.51%) f 9.16( 5.21%) 848. (0.00001) RY (10) H 18 s( 5.35%)p 7.39( 39.55%)d 7.75( 41.48%) f 2.54( 13.62%) 849. (0.00001) RY (11) H 18 s( 5.20%)p 5.45( 28.32%)d11.85( 61.60%) f 0.94( 4.88%) 850. (0.00000) RY (12) H 18 s( 0.51%)p13.20( 6.69%)d72.61( 36.79%) f99.99( 56.02%) 851. (0.00000) RY (13) H 18 s( 0.32%)p11.50( 3.66%)d29.36( 9.34%) f99.99( 86.68%) 852. (0.00000) RY (14) H 18 s( 2.18%)p21.71( 47.35%)d 9.53( 20.79%) f13.61( 29.69%) 853. (0.00000) RY (15) H 18 s( 2.31%)p10.49( 24.23%)d 3.72( 8.59%) f28.07( 64.86%) 854. (0.00000) RY (16) H 18 s( 1.76%)p13.24( 23.36%)d10.73( 18.94%) f31.69( 55.93%) 855. (0.00000) RY (17) H 18 s( 19.12%)p 1.50( 28.61%)d 1.46( 27.96%) f 1.27( 24.31%) 856. (0.00000) RY (18) H 18 s( 2.97%)p11.33( 33.69%)d11.38( 33.84%) f 9.91( 29.49%) 857. (0.00000) RY (19) H 18 s( 3.54%)p 8.53( 30.21%)d16.12( 57.13%) f 2.57( 9.12%) 858. (0.00000) RY (20) H 18 s( 44.08%)p 0.65( 28.54%)d 0.48( 21.03%) f 0.14( 6.36%) 859. (0.00000) RY (21) H 18 s( 21.30%)p 2.42( 51.52%)d 1.20( 25.56%) f 0.08( 1.62%) 860. (0.00000) RY (22) H 18 s( 0.05%)p40.10( 1.83%)d99.99( 83.51%) f99.99( 14.61%) 861. (0.00000) RY (23) H 18 s( 0.07%)p81.60( 5.68%)d99.99( 68.95%) f99.99( 25.31%) 862. (0.00000) RY (24) H 18 s( 0.06%)p66.20( 3.83%)d99.99( 80.09%) f99.99( 16.02%) 863. (0.00000) RY (25) H 18 s( 0.03%)p99.99( 18.70%)d99.99( 70.41%) f99.99( 10.85%) 864. (0.00000) RY (26) H 18 s( 0.26%)p11.84( 3.08%)d54.13( 14.07%) f99.99( 82.60%) 865. (0.00000) RY (27) H 18 s( 0.27%)p14.90( 4.02%)d33.23( 8.96%) f99.99( 86.75%) 866. (0.00000) RY (28) H 18 s( 0.01%)p 1.00( 64.06%)d 0.23( 14.90%) f 0.33( 21.03%) 867. (0.00000) RY (29) H 18 s( 0.15%)p99.99( 33.05%)d99.99( 48.98%) f99.99( 17.83%) 868. (0.00053) RY ( 1) H 19 s( 87.84%)p 0.10( 8.93%)d 0.03( 2.87%) f 0.00( 0.37%) 0.0013 0.9372 -0.0021 -0.0001 -0.0159 -0.2114 0.0419 -0.0048 -0.1893 0.0437 0.0019 0.0629 -0.0291 -0.0495 -0.0047 0.1363 0.0005 0.0316 0.0087 0.0582 0.0010 0.0562 -0.0021 -0.0100 0.0178 -0.0085 -0.0275 0.0233 0.0206 -0.0382 869. (0.00042) RY ( 2) H 19 s( 0.01%)p 1.00( 71.71%)d 0.36( 25.95%) f 0.03( 2.33%) 0.0021 0.0030 -0.0020 0.0089 0.3758 0.1559 -0.0444 -0.5637 -0.2112 0.0806 -0.4060 -0.1095 0.0627 -0.1005 0.0160 -0.2572 0.0401 -0.0503 0.0138 0.3762 -0.0587 0.1820 -0.0238 0.0070 0.0393 0.0528 -0.0703 -0.0430 0.0921 0.0606 870. (0.00025) RY ( 3) H 19 s( 24.17%)p 1.81( 43.76%)d 1.31( 31.59%) f 0.02( 0.48%) -0.0093 -0.0399 0.4840 -0.0759 0.2199 -0.1435 -0.0781 -0.2483 0.0065 0.0258 0.5321 -0.1166 -0.0589 0.2589 -0.0064 0.1467 -0.0368 0.2275 -0.0564 0.3271 -0.0573 -0.2451 0.0274 0.0315 -0.0024 -0.0423 -0.0282 -0.0300 -0.0134 0.0127 871. (0.00017) RY ( 4) H 19 s( 27.29%)p 2.48( 67.71%)d 0.14( 3.80%) f 0.04( 1.21%) -0.0066 0.0541 0.5181 -0.0393 -0.4708 -0.1923 -0.0951 -0.0499 0.1821 -0.0326 -0.3894 -0.4684 -0.0408 0.0715 0.0425 -0.1158 -0.0246 -0.1026 -0.0321 -0.0633 -0.0087 0.0361 -0.0092 0.0420 0.0151 0.0214 0.0203 -0.0771 -0.0556 0.0129 872. (0.00016) RY ( 5) H 19 s( 34.67%)p 1.08( 37.48%)d 0.80( 27.71%) f 0.00( 0.15%) -0.0032 0.0173 0.5738 0.1310 -0.0250 0.3290 0.0958 -0.0734 -0.0333 -0.0643 0.1178 0.4467 0.1808 -0.1482 0.0613 0.1237 0.0178 -0.3317 0.0334 -0.1340 0.0428 0.3184 -0.0583 0.0023 -0.0209 -0.0265 0.0030 0.0040 -0.0175 0.0049 873. (0.00003) RY ( 6) H 19 s( 12.91%)p 4.79( 61.82%)d 1.65( 21.24%) f 0.31( 4.03%) 874. (0.00002) RY ( 7) H 19 s( 2.20%)p24.08( 52.93%)d20.03( 44.03%) f 0.39( 0.85%) 875. (0.00001) RY ( 8) H 19 s( 1.51%)p20.43( 30.82%)d25.35( 38.24%) f19.52( 29.44%) 876. (0.00001) RY ( 9) H 19 s( 0.50%)p89.73( 44.95%)d99.99( 50.25%) f 8.59( 4.30%) 877. (0.00001) RY (10) H 19 s( 6.27%)p 6.28( 39.39%)d 6.71( 42.07%) f 1.96( 12.27%) 878. (0.00001) RY (11) H 19 s( 5.75%)p 4.85( 27.89%)d10.65( 61.20%) f 0.90( 5.16%) 879. (0.00000) RY (12) H 19 s( 0.49%)p15.72( 7.71%)d70.31( 34.49%) f99.99( 57.31%) 880. (0.00000) RY (13) H 19 s( 0.45%)p11.40( 5.13%)d23.30( 10.48%) f99.99( 83.94%) 881. (0.00000) RY (14) H 19 s( 2.20%)p21.55( 47.42%)d 9.11( 20.04%) f13.79( 30.34%) 882. (0.00000) RY (15) H 19 s( 2.61%)p 9.99( 26.06%)d 3.26( 8.51%) f24.08( 62.83%) 883. (0.00000) RY (16) H 19 s( 2.46%)p 8.20( 20.20%)d 8.36( 20.59%) f23.04( 56.75%) 884. (0.00000) RY (17) H 19 s( 14.02%)p 2.75( 38.63%)d 1.14( 15.99%) f 2.24( 31.35%) 885. (0.00000) RY (18) H 19 s( 8.52%)p 2.77( 23.58%)d 5.02( 42.73%) f 2.95( 25.17%) 886. (0.00000) RY (19) H 19 s( 4.31%)p 6.92( 29.83%)d13.05( 56.27%) f 2.23( 9.60%) 887. (0.00000) RY (20) H 19 s( 51.68%)p 0.42( 21.61%)d 0.41( 21.25%) f 0.11( 5.45%) 888. (0.00000) RY (21) H 19 s( 9.38%)p 6.37( 59.74%)d 3.04( 28.51%) f 0.25( 2.37%) 889. (0.00000) RY (22) H 19 s( 0.06%)p41.41( 2.60%)d99.99( 81.53%) f99.99( 15.81%) 890. (0.00000) RY (23) H 19 s( 0.05%)p99.99( 5.87%)d99.99( 71.33%) f99.99( 22.76%) 891. (0.00000) RY (24) H 19 s( 0.04%)p98.81( 4.14%)d99.99( 74.64%) f99.99( 21.18%) 892. (0.00000) RY (25) H 19 s( 0.04%)p99.99( 17.98%)d99.99( 70.79%) f99.99( 11.19%) 893. (0.00000) RY (26) H 19 s( 0.45%)p 3.48( 1.57%)d38.93( 17.53%) f99.99( 80.45%) 894. (0.00000) RY (27) H 19 s( 0.12%)p50.08( 5.88%)d91.43( 10.73%) f99.99( 83.27%) 895. (0.00000) RY (28) H 19 s( 0.02%)p99.99( 62.30%)d99.99( 15.83%) f99.99( 21.84%) 896. (0.00000) RY (29) H 19 s( 0.11%)p99.99( 32.29%)d99.99( 49.81%) f99.99( 17.79%) 897. (0.00073) RY ( 1) H 20 s( 85.79%)p 0.13( 11.43%)d 0.03( 2.55%) f 0.00( 0.22%) -0.0041 0.9257 -0.0319 -0.0039 0.2617 -0.0258 0.0162 -0.1163 0.1452 -0.0487 0.0535 -0.0500 -0.0508 0.0260 -0.0236 -0.0614 -0.0031 0.1189 -0.0157 -0.0674 -0.0094 -0.0328 -0.0198 -0.0077 0.0128 -0.0161 -0.0136 0.0018 0.0297 -0.0260 898. (0.00047) RY ( 2) H 20 s( 5.72%)p12.69( 72.54%)d 3.50( 20.00%) f 0.30( 1.74%) -0.0011 0.1714 0.1667 0.0014 -0.7105 -0.2422 0.0580 -0.2489 -0.0222 0.0098 0.2414 0.1920 -0.0298 -0.3148 0.0403 -0.2069 0.0300 0.0670 -0.0035 0.2170 -0.0334 0.0519 -0.0142 -0.0103 0.0075 0.0462 -0.0178 -0.0601 0.0695 0.0794 899. (0.00031) RY ( 3) H 20 s( 29.49%)p 1.69( 49.79%)d 0.68( 19.95%) f 0.03( 0.77%) 0.0038 0.1331 0.5265 0.0010 -0.2053 0.0385 -0.0143 0.3479 0.2385 -0.0511 -0.4998 0.1470 0.0467 -0.0377 0.0062 -0.0373 -0.0023 -0.2868 0.0370 -0.1723 0.0253 -0.2845 0.0414 0.0234 0.0156 -0.0114 -0.0278 0.0651 0.0067 -0.0418 900. (0.00019) RY ( 4) H 20 s( 48.26%)p 0.82( 39.55%)d 0.24( 11.73%) f 0.01( 0.46%) 0.0043 -0.0942 0.6883 0.0009 0.2770 0.1328 -0.0195 0.0439 -0.0055 0.0326 0.4883 0.2430 -0.0141 0.2078 -0.0031 -0.1004 0.0028 0.2226 -0.0405 0.0054 0.0183 0.1117 -0.0020 -0.0048 -0.0087 0.0566 -0.0211 0.0061 -0.0279 -0.0049 901. (0.00012) RY ( 5) H 20 s( 5.95%)p10.27( 61.12%)d 5.45( 32.44%) f 0.08( 0.49%) -0.0059 -0.1095 0.1689 -0.1377 -0.1348 -0.4366 -0.1562 0.0178 0.2351 0.0363 -0.1701 -0.5094 -0.1808 0.2636 -0.0576 -0.0356 -0.0091 0.4853 -0.0668 -0.0736 0.0096 0.0349 -0.0593 -0.0169 0.0219 -0.0467 -0.0083 -0.0175 0.0345 -0.0201 902. (0.00004) RY ( 6) H 20 s( 2.81%)p22.20( 62.50%)d10.34( 29.10%) f 1.99( 5.59%) 903. (0.00003) RY ( 7) H 20 s( 20.25%)p 2.76( 55.96%)d 1.00( 20.36%) f 0.17( 3.43%) 904. (0.00002) RY ( 8) H 20 s( 6.88%)p 5.25( 36.14%)d 7.28( 50.06%) f 1.01( 6.92%) 905. (0.00001) RY ( 9) H 20 s( 6.05%)p10.20( 61.68%)d 4.70( 28.43%) f 0.64( 3.85%) 906. (0.00001) RY (10) H 20 s( 2.30%)p15.82( 36.39%)d10.82( 24.88%) f15.83( 36.42%) 907. (0.00001) RY (11) H 20 s( 1.54%)p12.59( 19.41%)d48.08( 74.12%) f 3.20( 4.93%) 908. (0.00000) RY (12) H 20 s( 0.39%)p99.99( 42.04%)d99.99( 50.34%) f18.60( 7.23%) 909. (0.00000) RY (13) H 20 s( 1.37%)p 3.28( 4.49%)d17.55( 23.97%) f51.37( 70.18%) 910. (0.00000) RY (14) H 20 s( 0.94%)p24.00( 22.59%)d19.04( 17.92%) f62.21( 58.55%) 911. (0.00000) RY (15) H 20 s( 5.18%)p 5.52( 28.59%)d 4.45( 23.05%) f 8.33( 43.17%) 912. (0.00000) RY (16) H 20 s( 0.39%)p77.72( 30.22%)d41.16( 16.01%) f99.99( 53.38%) 913. (0.00000) RY (17) H 20 s( 16.68%)p 1.32( 21.97%)d 3.40( 56.66%) f 0.28( 4.69%) 914. (0.00000) RY (18) H 20 s( 2.87%)p12.39( 35.55%)d17.13( 49.15%) f 4.33( 12.43%) 915. (0.00000) RY (19) H 20 s( 26.63%)p 0.97( 25.92%)d 1.00( 26.63%) f 0.78( 20.82%) 916. (0.00000) RY (20) H 20 s( 29.21%)p 1.32( 38.68%)d 0.37( 10.80%) f 0.73( 21.31%) 917. (0.00000) RY (21) H 20 s( 0.04%)p28.28( 1.04%)d99.99( 92.30%) f99.99( 6.62%) 918. (0.00000) RY (22) H 20 s( 0.01%)p99.99( 4.56%)d99.99( 76.61%) f99.99( 18.82%) 919. (0.00000) RY (23) H 20 s( 0.02%)p99.99( 5.12%)d99.99( 38.81%) f99.99( 56.05%) 920. (0.00000) RY (24) H 20 s( 0.06%)p99.99( 34.50%)d99.99( 35.74%) f99.99( 29.70%) 921. (0.00000) RY (25) H 20 s( 0.61%)p15.10( 9.21%)d99.99( 71.53%) f30.58( 18.65%) 922. (0.00000) RY (26) H 20 s( 0.12%)p99.99( 33.54%)d99.99( 34.78%) f99.99( 31.56%) 923. (0.00000) RY (27) H 20 s( 0.02%)p99.99( 27.06%)d99.99( 31.38%) f99.99( 41.54%) 924. (0.00000) RY (28) H 20 s( 0.07%)p99.99( 10.47%)d99.99( 13.31%) f99.99( 76.15%) 925. (0.00000) RY (29) H 20 s( 0.46%)p38.67( 17.83%)d37.68( 17.37%) f99.99( 64.35%) 926. (0.00800) RY ( 1) S 21 s( 6.51%)p 1.07( 6.96%)d13.03( 84.81%) f 0.23( 1.49%)g 0.04( 0.23%) 0.0000 0.0000 -0.0121 0.2530 0.0311 -0.0026 0.0002 0.0000 0.0000 0.0000 -0.0082 -0.0399 -0.0103 0.0038 -0.0001 0.0000 0.0201 0.2262 -0.0277 -0.0049 -0.0005 0.0000 -0.0040 -0.1219 0.0229 0.0023 0.0001 0.5747 0.0619 0.0122 -0.0030 -0.1905 -0.0133 0.0017 0.0011 0.1440 0.0735 -0.0048 0.0011 0.5443 0.1443 -0.0010 -0.0009 -0.3647 -0.0306 -0.0113 0.0015 -0.0151 0.0020 -0.0200 -0.0283 0.0160 0.0030 0.0055 0.0041 0.0222 0.0456 0.0906 0.0398 0.0270 0.0045 0.0201 -0.0054 -0.0061 -0.0219 0.0005 0.0190 0.0161 0.0226 0.0157 927. (0.00391) RY ( 2) S 21 s( 0.39%)p98.15( 38.17%)d99.99( 59.50%) f 4.68( 1.82%)g 0.30( 0.12%) 0.0000 0.0000 -0.0052 0.0030 0.0620 -0.0030 0.0014 -0.0001 0.0000 0.0000 -0.0734 -0.1877 0.0000 0.0106 0.0000 0.0000 0.0039 0.3280 0.0335 -0.0351 -0.0003 0.0000 -0.0074 0.4804 -0.0126 -0.0026 -0.0006 -0.3309 0.1524 -0.0150 0.0033 0.2961 0.1981 -0.0092 0.0007 -0.2697 -0.0189 -0.0036 0.0021 0.4726 0.1055 0.0180 -0.0042 0.0268 0.1613 -0.0198 0.0007 0.0017 -0.0330 -0.0210 0.0655 0.0207 -0.0292 0.0194 0.0341 -0.0474 -0.0090 0.0308 -0.0625 -0.0130 -0.0471 -0.0202 -0.0034 0.0012 0.0122 -0.0100 0.0096 -0.0161 -0.0018 0.0114 928. (0.00306) RY ( 3) S 21 s( 4.91%)p 7.22( 35.47%)d11.65( 57.20%) f 0.45( 2.21%)g 0.04( 0.20%) 0.0000 0.0000 -0.0115 0.2199 -0.0248 0.0015 0.0017 -0.0001 -0.0001 0.0000 -0.0862 0.5500 0.0227 -0.0557 0.0002 0.0000 0.0042 -0.0444 0.0281 0.0058 -0.0005 0.0000 -0.0205 -0.1861 0.0572 0.0095 0.0005 -0.5267 -0.2429 0.0154 -0.0016 -0.1619 -0.1485 0.0139 0.0014 -0.0641 -0.0692 0.0036 0.0002 0.2513 0.2348 -0.0065 -0.0004 -0.2198 -0.1060 0.0091 0.0002 0.0013 -0.0006 -0.0050 -0.0569 -0.0030 0.0142 0.0252 -0.0275 -0.0267 -0.0133 -0.0088 -0.0474 0.0435 -0.1102 0.0070 -0.0088 0.0116 -0.0166 0.0210 -0.0055 -0.0224 0.0101 -0.0194 929. (0.00162) RY ( 4) S 21 s( 2.38%)p 8.44( 20.10%)d31.51( 75.00%) f 0.99( 2.36%)g 0.07( 0.16%) 0.0000 0.0000 -0.0085 0.1527 -0.0201 0.0041 0.0013 0.0000 -0.0001 0.0000 -0.0411 0.1111 -0.0530 0.0071 0.0003 0.0000 -0.0008 0.0160 0.0012 -0.0042 -0.0008 0.0000 -0.0297 -0.4206 -0.0775 0.0073 0.0014 0.0093 -0.0085 0.0017 -0.0019 0.7630 0.2445 0.0052 -0.0006 0.2428 0.1910 0.0052 -0.0027 0.0038 0.1097 0.0018 0.0035 0.0172 0.0066 -0.0045 -0.0004 -0.0797 0.0377 -0.0033 0.0291 -0.0098 0.0071 0.0175 0.0283 0.0629 -0.0925 -0.0294 0.0069 0.0165 0.0054 -0.0141 -0.0228 0.0077 0.0151 0.0063 0.0144 -0.0070 0.0131 -0.0112 930. (0.00090) RY ( 5) S 21 s( 21.98%)p 0.94( 20.64%)d 2.42( 53.28%) f 0.17( 3.75%)g 0.02( 0.35%) 0.0000 0.0000 -0.0045 0.4659 -0.0507 -0.0069 -0.0028 0.0006 0.0001 0.0000 -0.0040 -0.1330 -0.1905 -0.0269 0.0016 0.0000 0.0042 -0.3247 -0.0783 0.0198 -0.0013 0.0000 -0.0216 0.1669 -0.0990 0.0400 -0.0012 0.2592 -0.3248 0.0489 -0.0053 0.2272 -0.2520 0.0202 0.0018 -0.4492 -0.0820 -0.0051 0.0019 -0.0213 0.1073 -0.0049 0.0056 0.1307 -0.0667 0.0109 -0.0070 0.0442 -0.0567 0.0724 0.0122 0.0112 0.0013 -0.0004 0.0081 -0.0622 0.0002 -0.0456 -0.0111 0.1035 -0.0997 0.0078 -0.0179 0.0174 -0.0153 -0.0049 0.0043 -0.0404 -0.0166 -0.0251 931. (0.00054) RY ( 6) S 21 s( 13.24%)p 2.12( 28.11%)d 3.82( 50.52%) f 0.59( 7.78%)g 0.03( 0.35%) 0.0000 0.0000 0.0024 0.3634 -0.0007 -0.0165 -0.0068 0.0001 -0.0003 0.0000 -0.0287 -0.3539 -0.0547 -0.0092 -0.0011 0.0000 0.0064 -0.2811 -0.2168 -0.0070 -0.0008 0.0000 0.0079 -0.1088 0.1082 -0.0475 0.0003 -0.3142 0.4387 -0.0159 0.0085 -0.0070 -0.1384 -0.0049 -0.0073 -0.0008 0.0875 0.0108 -0.0010 -0.0621 -0.2072 -0.0186 -0.0066 -0.3732 -0.0064 -0.0091 0.0031 -0.1028 0.0347 -0.0776 0.0472 0.0960 0.0375 0.0576 -0.0435 0.0449 -0.0048 0.0833 0.0098 -0.1811 0.0100 0.0195 0.0192 0.0048 0.0043 -0.0228 -0.0085 0.0024 -0.0456 0.0027 932. (0.00047) RY ( 7) S 21 s( 11.07%)p 1.57( 17.40%)d 5.29( 58.58%) f 1.14( 12.64%)g 0.03( 0.30%) 0.0000 0.0000 0.0124 0.2067 0.2604 0.0017 0.0002 0.0004 0.0001 0.0000 0.0078 -0.2480 0.0735 0.0414 -0.0023 0.0000 -0.0274 -0.3142 0.0145 -0.0319 0.0028 0.0000 0.0118 0.0577 -0.0338 -0.0034 0.0006 -0.1196 -0.0776 -0.0139 0.0058 -0.1969 0.4495 0.0329 0.0006 0.3337 -0.1748 0.0169 -0.0046 0.1557 0.1566 0.0336 -0.0020 0.2145 -0.2918 -0.0067 -0.0009 0.1051 -0.0233 0.1411 -0.0132 -0.0053 0.0172 -0.1702 0.0693 0.1061 -0.0558 -0.1766 0.0509 -0.0241 -0.1092 -0.0124 0.0032 -0.0014 0.0266 -0.0271 0.0116 0.0008 -0.0228 0.0266 933. (0.00030) RY ( 8) S 21 s( 4.63%)p 6.03( 27.91%)d13.08( 60.57%) f 1.45( 6.73%)g 0.03( 0.16%) 0.0000 0.0000 -0.0021 0.0915 0.1947 -0.0031 -0.0001 0.0003 -0.0002 0.0000 0.0041 -0.0845 -0.2029 0.0074 -0.0020 0.0000 0.0215 0.1280 0.3441 -0.0813 0.0034 0.0000 0.0152 0.2340 0.1829 0.0200 0.0006 -0.0106 -0.0205 -0.0072 0.0008 0.0788 -0.1061 0.0117 -0.0015 0.2662 -0.1229 -0.0294 0.0036 -0.4123 0.3914 0.0121 0.0004 -0.3823 0.1719 -0.0407 0.0043 0.0935 -0.0480 0.0524 0.0279 0.1240 -0.0043 -0.0308 0.0438 -0.0842 0.0310 -0.0858 0.0190 0.1282 -0.0477 -0.0152 0.0049 -0.0025 0.0186 0.0014 -0.0038 -0.0009 0.0116 0.0285 934. (0.00025) RY ( 9) S 21 s( 1.30%)p25.16( 32.61%)d45.91( 59.49%) f 4.96( 6.43%)g 0.13( 0.17%) 0.0000 0.0000 -0.0141 -0.0317 0.1082 0.0070 0.0020 -0.0001 0.0002 0.0000 -0.0095 0.3033 0.1911 0.0623 -0.0004 0.0000 0.0288 -0.3636 0.0463 0.0013 0.0009 0.0000 -0.0032 0.2198 -0.0990 0.0167 -0.0005 0.1558 -0.1194 -0.0207 0.0016 0.0205 0.4407 -0.0040 -0.0001 -0.1989 0.0415 -0.0132 0.0020 -0.0480 -0.2107 0.0259 0.0006 -0.4353 0.2853 -0.0395 0.0054 -0.0703 -0.0176 -0.0855 0.0475 0.0208 0.0226 0.0001 0.0270 0.0526 -0.0056 -0.1527 0.0704 -0.0874 0.0956 -0.0094 -0.0223 0.0009 0.0190 -0.0213 0.0140 -0.0053 -0.0010 0.0099 935. (0.00017) RY (10) S 21 s( 1.50%)p19.51( 29.22%)d36.06( 54.02%) f10.14( 15.19%)g 0.05( 0.07%) 0.0000 0.0000 -0.0058 0.1035 -0.0643 0.0103 -0.0001 0.0000 0.0001 0.0000 -0.0184 0.1842 0.2147 0.0262 0.0019 0.0000 -0.0118 -0.0744 -0.0812 0.0117 0.0007 0.0000 -0.0001 0.1955 0.4007 -0.0007 0.0004 0.0924 -0.0065 -0.0133 -0.0019 0.2666 -0.1671 -0.0401 -0.0013 0.3297 -0.4525 0.0073 -0.0070 0.1393 -0.3005 -0.0232 -0.0005 0.0825 -0.0098 0.0099 0.0014 0.1230 -0.0690 0.0198 -0.0351 -0.0078 -0.0075 0.1164 -0.0284 -0.2547 0.1026 -0.0190 0.0329 -0.1625 0.1128 -0.0026 -0.0227 0.0012 0.0078 -0.0052 0.0060 0.0028 0.0050 0.0066 936. (0.00010) RY (11) S 21 s( 14.87%)p 1.27( 18.85%)d 3.18( 47.30%) f 1.21( 18.03%)g 0.06( 0.95%) 937. (0.00008) RY (12) S 21 s( 4.32%)p 5.57( 24.07%)d10.37( 44.82%) f 6.08( 26.29%)g 0.12( 0.50%) 938. (0.00005) RY (13) S 21 s( 1.83%)p17.68( 32.28%)d25.53( 46.62%) f10.03( 18.32%)g 0.52( 0.96%) 939. (0.00004) RY (14) S 21 s( 1.86%)p15.15( 28.14%)d16.91( 31.41%) f20.32( 37.74%)g 0.46( 0.85%) 940. (0.00003) RY (15) S 21 s( 15.68%)p 1.97( 30.81%)d 2.13( 33.46%) f 1.25( 19.57%)g 0.03( 0.48%) 941. (0.00002) RY (16) S 21 s( 17.68%)p 0.40( 7.12%)d 1.22( 21.54%) f 2.91( 51.53%)g 0.12( 2.12%) 942. (0.00002) RY (17) S 21 s( 1.39%)p32.01( 44.65%)d16.91( 23.59%) f21.46( 29.93%)g 0.32( 0.44%) 943. (0.00002) RY (18) S 21 s( 5.03%)p 3.77( 18.97%)d 3.03( 15.23%) f12.01( 60.38%)g 0.08( 0.39%) 944. (0.00001) RY (19) S 21 s( 26.00%)p 0.44( 11.31%)d 0.50( 12.95%) f 1.74( 45.34%)g 0.17( 4.40%) 945. (0.00001) RY (20) S 21 s( 8.35%)p 5.54( 46.25%)d 2.81( 23.45%) f 2.55( 21.32%)g 0.07( 0.62%) 946. (0.00001) RY (21) S 21 s( 4.77%)p 6.29( 30.03%)d 2.66( 12.71%) f10.59( 50.54%)g 0.41( 1.94%) 947. (0.00000) RY (22) S 21 s( 7.85%)p 1.15( 9.05%)d 2.76( 21.64%) f 1.65( 12.94%)g 6.18( 48.51%) 948. (0.00000) RY (23) S 21 s( 3.62%)p 1.59( 5.74%)d 5.68( 20.56%) f11.49( 41.61%)g 7.86( 28.46%) 949. (0.00000) RY (24) S 21 s( 2.56%)p 3.43( 8.79%)d 6.44( 16.51%) f 9.26( 23.72%)g18.90( 48.43%) 950. (0.00000) RY (25) S 21 s( 9.30%)p 1.74( 16.14%)d 3.71( 34.51%) f 1.56( 14.47%)g 2.75( 25.58%) 951. (0.00000) RY (26) S 21 s( 0.24%)p64.08( 15.58%)d99.99( 34.45%) f89.39( 21.73%)g99.99( 27.99%) 952. (0.00000) RY (27) S 21 s( 3.00%)p 2.72( 8.15%)d10.01( 30.01%) f 9.53( 28.57%)g10.10( 30.27%) 953. (0.00000) RY (28) S 21 s( 11.36%)p 0.72( 8.12%)d 1.97( 22.43%) f 0.99( 11.24%)g 4.13( 46.86%) 954. (0.00000) RY (29) S 21 s( 8.99%)p 0.60( 5.42%)d 2.68( 24.10%) f 4.30( 38.65%)g 2.54( 22.83%) 955. (0.00000) RY (30) S 21 s( 2.41%)p 5.93( 14.28%)d 9.44( 22.73%) f23.77( 57.24%)g 1.39( 3.34%) 956. (0.00000) RY (31) S 21 s( 4.52%)p 1.95( 8.79%)d 4.11( 18.56%) f 8.21( 37.12%)g 6.86( 31.01%) 957. (0.00000) RY (32) S 21 s( 1.76%)p 9.03( 15.91%)d16.77( 29.54%) f23.83( 41.98%)g 6.14( 10.82%) 958. (0.00000) RY (33) S 21 s( 3.23%)p 7.41( 23.96%)d14.78( 47.79%) f 6.01( 19.43%)g 1.73( 5.60%) 959. (0.00000) RY (34) S 21 s( 3.21%)p 7.35( 23.58%)d10.82( 34.74%) f10.20( 32.74%)g 1.78( 5.72%) 960. (0.00000) RY (35) S 21 s( 2.13%)p 4.31( 9.17%)d25.59( 54.45%) f12.74( 27.11%)g 3.36( 7.14%) 961. (0.00000) RY (36) S 21 s( 4.48%)p 3.32( 14.86%)d10.42( 46.70%) f 5.22( 23.38%)g 2.36( 10.57%) 962. (0.00000) RY (37) S 21 s( 0.26%)p96.44( 25.31%)d99.99( 54.13%) f70.63( 18.53%)g 6.74( 1.77%) 963. (0.00000) RY (38) S 21 s( 4.06%)p 1.89( 7.66%)d13.90( 56.43%) f 7.44( 30.19%)g 0.41( 1.66%) 964. (0.00000) RY (39) S 21 s( 0.61%)p41.25( 25.10%)d27.46( 16.71%) f82.70( 50.31%)g11.95( 7.27%) 965. (0.00001) RY (40) S 21 s( 5.17%)p 4.07( 21.01%)d 5.19( 26.84%) f 8.60( 44.42%)g 0.49( 2.55%) 966. (0.00001) RY (41) S 21 s( 0.13%)p99.99( 27.73%)d99.99( 20.39%) f99.99( 50.10%)g12.99( 1.65%) 967. (0.00000) RY (42) S 21 s( 98.51%)p 0.01( 1.32%)d 0.00( 0.09%) f 0.00( 0.04%)g 0.00( 0.04%) 968. (0.00000) RY (43) S 21 s( 97.66%)p 0.01( 1.19%)d 0.01( 0.68%) f 0.00( 0.24%)g 0.00( 0.23%) 969. (0.00000) RY (44) S 21 s( 4.49%)p19.15( 85.92%)d 1.26( 5.65%) f 0.35( 1.57%)g 0.53( 2.36%) 970. (0.00000) RY (45) S 21 s( 15.27%)p 3.54( 54.04%)d 1.15( 17.57%) f 0.21( 3.13%)g 0.65( 9.98%) 971. (0.00000) RY (46) S 21 s( 26.85%)p 0.53( 14.29%)d 0.54( 14.43%) f 0.40( 10.86%)g 1.25( 33.57%) 972. (0.00000) RY (47) S 21 s( 20.37%)p 0.78( 15.97%)d 2.05( 41.67%) f 0.41( 8.40%)g 0.67( 13.59%) 973. (0.00000) RY (48) S 21 s( 1.25%)p18.12( 22.73%)d32.07( 40.24%) f 5.20( 6.52%)g23.32( 29.26%) 974. (0.00000) RY (49) S 21 s( 2.24%)p 6.14( 13.72%)d21.88( 48.91%) f 3.30( 7.39%)g12.41( 27.75%) 975. (0.00000) RY (50) S 21 s( 13.52%)p 4.49( 60.67%)d 0.99( 13.32%) f 0.21( 2.86%)g 0.71( 9.62%) 976. (0.00000) RY (51) S 21 s( 17.82%)p 0.62( 11.06%)d 1.15( 20.51%) f 1.51( 26.87%)g 1.33( 23.74%) 977. (0.00000) RY (52) S 21 s( 1.34%)p 8.46( 11.30%)d31.35( 41.87%) f14.21( 18.98%)g19.85( 26.52%) 978. (0.00000) RY (53) S 21 s( 7.82%)p 0.93( 7.30%)d 2.17( 16.93%) f 1.59( 12.46%)g 7.10( 55.50%) 979. (0.00000) RY (54) S 21 s( 0.29%)p29.28( 8.55%)d84.65( 24.73%) f99.99( 40.91%)g87.36( 25.52%) 980. (0.00000) RY (55) S 21 s( 1.16%)p 6.67( 7.74%)d11.87( 13.77%) f41.24( 47.87%)g25.38( 29.46%) 981. (0.00000) RY (56) S 21 s( 17.39%)p 0.46( 8.07%)d 1.75( 30.37%) f 0.95( 16.58%)g 1.59( 27.59%) 982. (0.00000) RY (57) S 21 s( 13.03%)p 1.06( 13.82%)d 1.53( 19.96%) f 1.52( 19.82%)g 2.56( 33.36%) 983. (0.00000) RY (58) S 21 s( 0.13%)p41.45( 5.25%)d99.99( 17.91%) f99.99( 38.74%)g99.99( 37.98%) 984. (0.00000) RY (59) S 21 s( 1.89%)p 4.01( 7.59%)d12.19( 23.10%) f10.32( 19.55%)g25.26( 47.86%) 985. (0.00000) RY (60) S 21 s( 5.67%)p 0.44( 2.47%)d 6.90( 39.17%) f 2.86( 16.25%)g 6.42( 36.43%) 986. (0.00000) RY (61) S 21 s( 4.52%)p 1.25( 5.63%)d 1.82( 8.23%) f 7.92( 35.79%)g10.14( 45.83%) 987. (0.01945) RY ( 1) S 22 s( 13.35%)p 0.19( 2.60%)d 6.14( 81.92%) f 0.15( 1.94%)g 0.01( 0.20%) 0.0000 0.0000 -0.0207 0.3645 0.0153 -0.0027 0.0000 0.0001 -0.0001 0.0000 -0.0038 0.0606 -0.0115 -0.0006 0.0003 0.0000 0.0303 -0.0450 -0.0226 -0.0075 0.0004 0.0000 0.0493 0.1185 -0.0467 -0.0071 0.0004 -0.5638 -0.0099 -0.0122 0.0010 -0.4197 -0.0015 -0.0086 0.0005 0.1059 0.0005 0.0064 0.0004 0.2471 -0.0184 0.0102 -0.0004 -0.5019 0.0079 -0.0113 0.0017 0.0345 0.0072 0.0893 0.0133 0.0003 -0.0009 0.0299 0.0017 0.0660 0.0092 -0.0583 -0.0098 0.0336 0.0033 0.0176 0.0064 -0.0159 -0.0245 0.0049 0.0047 0.0099 -0.0131 -0.0210 988. (0.01089) RY ( 2) S 22 s( 0.66%)p33.58( 22.02%)d99.99( 73.32%) f 5.76( 3.78%)g 0.34( 0.23%) 0.0000 0.0000 -0.0085 0.0787 -0.0169 -0.0012 0.0007 0.0000 0.0000 0.0000 0.1223 -0.2681 -0.0377 0.0074 -0.0013 0.0000 -0.0638 0.3462 -0.0002 0.0000 -0.0001 0.0000 -0.0085 -0.0848 0.0266 0.0048 -0.0004 -0.2749 0.0027 -0.0055 0.0011 0.5657 0.0024 0.0127 0.0000 -0.4860 -0.0136 -0.0128 0.0016 0.2519 -0.0003 0.0031 0.0014 -0.1927 -0.0179 -0.0006 0.0002 0.0552 0.0180 -0.0958 -0.0301 0.0735 0.0325 -0.1197 -0.0267 0.0258 0.0108 -0.0364 0.0020 -0.0248 -0.0088 -0.0032 -0.0016 -0.0124 0.0374 0.0125 0.0155 -0.0077 -0.0086 -0.0129 989. (0.00634) RY ( 3) S 22 s( 0.13%)p99.99( 35.94%)d99.99( 61.43%) f17.65( 2.23%)g 2.09( 0.26%) 0.0000 0.0000 0.0001 0.0348 -0.0067 0.0000 -0.0025 0.0001 0.0000 0.0000 0.0591 -0.2914 -0.0864 0.0027 0.0015 0.0000 -0.0430 -0.3961 0.0259 0.0036 0.0002 0.0000 -0.0084 0.3220 -0.0174 0.0109 -0.0010 0.5345 0.0089 0.0198 -0.0042 0.0347 0.0159 -0.0051 -0.0014 -0.0168 0.0195 -0.0103 -0.0003 0.4814 -0.0151 0.0110 -0.0034 -0.3057 0.0074 -0.0146 0.0031 0.0247 0.0011 0.0172 -0.0015 0.0335 0.0203 -0.0446 -0.0139 -0.0525 -0.0330 -0.0161 -0.0402 -0.1056 -0.0287 0.0073 -0.0079 -0.0173 -0.0054 0.0125 0.0091 0.0257 0.0289 0.0217 990. (0.00332) RY ( 4) S 22 s( 5.93%)p 4.53( 26.86%)d10.97( 64.99%) f 0.34( 2.04%)g 0.03( 0.19%) 0.0000 0.0000 0.0012 0.2429 0.0154 0.0005 -0.0015 0.0003 0.0001 0.0000 -0.0235 0.0270 0.0971 0.0025 0.0009 0.0000 0.0152 -0.4925 -0.0658 -0.0027 0.0010 0.0000 0.0062 0.0744 -0.0724 0.0035 -0.0006 -0.0357 -0.0225 -0.0031 0.0020 0.3605 0.0195 0.0005 -0.0019 -0.1030 0.0421 0.0023 -0.0028 -0.6196 -0.0795 -0.0071 0.0062 -0.3370 -0.0365 -0.0092 0.0038 0.0370 0.0200 -0.0602 -0.0224 0.0327 0.0267 0.0550 0.0439 -0.0041 -0.0011 0.0195 -0.0158 0.0727 0.0426 -0.0036 0.0083 -0.0155 -0.0004 0.0182 -0.0015 -0.0302 -0.0120 0.0128 991. (0.00089) RY ( 5) S 22 s( 21.32%)p 1.03( 21.99%)d 2.56( 54.63%) f 0.07( 1.56%)g 0.02( 0.50%) 0.0000 0.0000 -0.0172 0.4559 -0.0677 -0.0215 0.0001 0.0004 0.0002 0.0000 0.0164 0.0144 -0.1871 -0.0029 0.0009 0.0000 0.0150 -0.3071 -0.0967 0.0206 -0.0050 0.0000 0.0651 -0.1736 0.2137 -0.0021 -0.0017 -0.1695 -0.0162 0.0077 -0.0035 0.2945 0.0358 0.0322 -0.0110 0.3011 -0.0588 -0.0006 0.0070 0.2825 -0.2171 0.0534 0.0012 0.4498 -0.0383 0.0188 0.0015 -0.0063 0.0196 -0.0397 -0.0208 -0.0531 -0.0155 0.0476 0.0208 -0.0400 0.0206 0.0525 -0.0138 -0.0267 0.0419 -0.0286 0.0091 -0.0094 -0.0154 -0.0071 0.0353 -0.0445 -0.0091 0.0196 992. (0.00050) RY ( 6) S 22 s( 0.62%)p22.46( 13.97%)d99.99( 81.99%) f 5.31( 3.30%)g 0.20( 0.12%) 0.0000 0.0000 0.0145 0.0705 -0.0319 0.0001 0.0035 0.0002 0.0003 0.0000 -0.0342 -0.0547 0.0172 0.0083 0.0011 0.0000 -0.0479 -0.2050 -0.1461 0.0197 -0.0010 0.0000 -0.0147 0.2607 0.0262 -0.0152 -0.0017 -0.1069 -0.0319 0.0060 -0.0025 -0.3199 0.0092 -0.0160 -0.0006 -0.6289 0.3408 -0.0671 0.0021 0.0139 -0.1436 0.0175 0.0066 0.3855 -0.1331 0.0313 0.0050 -0.1117 0.0278 -0.0213 0.0093 0.0111 -0.0100 0.0007 0.0713 0.0570 0.0121 0.0471 -0.0210 0.0865 0.0191 -0.0121 -0.0004 0.0038 -0.0197 -0.0047 0.0133 -0.0216 -0.0003 -0.0006 993. (0.00036) RY ( 7) S 22 s( 15.06%)p 4.31( 64.92%)d 0.98( 14.76%) f 0.33( 4.99%)g 0.02( 0.27%) 0.0000 0.0000 0.0041 0.3621 -0.1366 0.0082 -0.0284 0.0006 -0.0002 0.0000 0.0116 0.0324 -0.3997 0.0511 0.0038 0.0000 0.0072 0.4161 -0.0983 -0.0008 -0.0018 0.0000 0.0086 0.4281 -0.3417 0.0514 0.0020 0.1991 0.0186 0.0332 0.0095 0.0153 -0.0737 -0.0182 -0.0108 0.0620 -0.1283 -0.0059 0.0027 -0.1806 -0.2003 -0.0132 -0.0063 0.0832 -0.0046 0.0051 0.0050 0.0473 -0.0739 -0.0019 -0.0385 -0.0224 0.0209 0.0145 0.0864 0.0215 -0.0728 -0.1009 0.0997 0.0785 -0.0052 0.0055 0.0130 -0.0143 -0.0052 0.0096 -0.0081 -0.0327 0.0256 0.0190 994. (0.00030) RY ( 8) S 22 s( 18.35%)p 2.59( 47.43%)d 1.45( 26.60%) f 0.39( 7.10%)g 0.03( 0.52%) 0.0000 0.0000 -0.0044 0.3982 0.1576 0.0062 0.0025 0.0005 -0.0001 0.0000 0.0091 -0.2941 -0.0210 0.0178 0.0028 0.0000 0.0055 0.1420 0.3997 -0.0187 0.0007 0.0000 -0.0015 -0.4521 0.0454 -0.0140 -0.0001 0.2666 -0.1294 -0.0108 0.0053 -0.2039 -0.1368 -0.0249 -0.0024 -0.0915 0.2169 0.0107 0.0023 -0.1259 -0.1805 -0.0039 -0.0012 -0.0764 0.0851 -0.0011 -0.0008 -0.0889 0.0256 0.1251 0.0083 -0.0845 -0.0195 -0.0026 0.0519 -0.1331 0.1096 0.0311 0.0245 0.0718 0.0090 -0.0030 0.0028 0.0295 -0.0211 -0.0278 -0.0284 0.0186 -0.0354 -0.0269 995. (0.00010) RY ( 9) S 22 s( 4.77%)p 7.78( 37.11%)d 7.97( 38.05%) f 3.83( 18.26%)g 0.38( 1.81%) 996. (0.00007) RY (10) S 22 s( 3.00%)p19.63( 58.90%)d 8.76( 26.29%) f 3.64( 10.93%)g 0.29( 0.88%) 997. (0.00004) RY (11) S 22 s( 8.92%)p 5.43( 48.42%)d 1.97( 17.55%) f 2.52( 22.53%)g 0.29( 2.57%) 998. (0.00003) RY (12) S 22 s( 2.42%)p19.44( 47.12%)d 8.92( 21.63%) f11.64( 28.23%)g 0.24( 0.59%) 999. (0.00002) RY (13) S 22 s( 10.88%)p 2.55( 27.80%)d 2.85( 31.02%) f 2.43( 26.50%)g 0.35( 3.79%) 1000. (0.00001) RY (14) S 22 s( 3.05%)p 3.66( 11.18%)d17.24( 52.63%) f10.57( 32.28%)g 0.28( 0.87%) 1001. (0.00001) RY (15) S 22 s( 9.13%)p 2.87( 26.20%)d 4.12( 37.61%) f 2.81( 25.71%)g 0.15( 1.35%) 1002. (0.00001) RY (16) S 22 s( 4.88%)p 3.39( 16.54%)d 6.29( 30.69%) f 8.87( 43.27%)g 0.95( 4.62%) 1003. (0.00001) RY (17) S 22 s( 1.47%)p 5.42( 7.96%)d48.54( 71.25%) f12.11( 17.78%)g 1.05( 1.54%) 1004. (0.00000) RY (18) S 22 s( 2.63%)p 3.42( 8.99%)d23.54( 61.88%) f 9.77( 25.69%)g 0.31( 0.81%) 1005. (0.00001) RY (19) S 22 s( 2.34%)p 7.19( 16.81%)d27.84( 65.16%) f 6.59( 15.42%)g 0.11( 0.27%) 1006. (0.00000) RY (20) S 22 s( 14.62%)p 0.20( 2.93%)d 1.30( 18.98%) f 3.47( 50.70%)g 0.87( 12.77%) 1007. (0.00000) RY (21) S 22 s( 0.78%)p16.50( 12.89%)d50.02( 39.07%) f21.76( 17.00%)g38.73( 30.25%) 1008. (0.00000) RY (22) S 22 s( 2.25%)p 3.07( 6.90%)d24.36( 54.81%) f 7.88( 17.73%)g 8.14( 18.31%) 1009. (0.00000) RY (23) S 22 s( 3.13%)p 4.74( 14.83%)d 2.62( 8.21%) f 5.22( 16.35%)g18.36( 57.47%) 1010. (0.00000) RY (24) S 22 s( 0.66%)p 8.54( 5.61%)d36.69( 24.09%) f30.95( 20.32%)g75.11( 49.32%) 1011. (0.00000) RY (25) S 22 s( 1.13%)p 5.58( 6.32%)d30.05( 34.03%) f26.41( 29.92%)g25.24( 28.60%) 1012. (0.00000) RY (26) S 22 s( 3.21%)p 1.00( 3.22%)d 5.24( 16.83%) f 9.79( 31.46%)g14.09( 45.28%) 1013. (0.00000) RY (27) S 22 s( 2.24%)p 3.08( 6.89%)d 5.27( 11.80%) f22.50( 50.40%)g12.80( 28.67%) 1014. (0.00000) RY (28) S 22 s( 2.38%)p 5.30( 12.65%)d14.86( 35.44%) f10.44( 24.90%)g10.33( 24.63%) 1015. (0.00000) RY (29) S 22 s( 0.66%)p10.00( 6.61%)d28.05( 18.55%) f77.92( 51.51%)g34.30( 22.67%) 1016. (0.00000) RY (30) S 22 s( 0.17%)p69.15( 11.47%)d99.99( 20.07%) f99.99( 26.88%)g99.99( 41.40%) 1017. (0.00000) RY (31) S 22 s( 4.80%)p 2.99( 14.36%)d 1.80( 8.61%) f 3.83( 18.35%)g11.24( 53.88%) 1018. (0.00000) RY (32) S 22 s( 1.88%)p14.07( 26.39%)d 6.99( 13.11%) f23.28( 43.66%)g 7.98( 14.96%) 1019. (0.00000) RY (33) S 22 s( 18.92%)p 1.20( 22.76%)d 1.06( 20.10%) f 1.48( 27.91%)g 0.55( 10.32%) 1020. (0.00000) RY (34) S 22 s( 0.67%)p23.07( 15.54%)d34.62( 23.32%) f81.25( 54.73%)g 8.51( 5.73%) 1021. (0.00000) RY (35) S 22 s( 1.32%)p 3.97( 5.23%)d22.88( 30.11%) f35.06( 46.14%)g13.07( 17.20%) 1022. (0.00000) RY (36) S 22 s( 35.14%)p 0.50( 17.64%)d 0.41( 14.29%) f 0.75( 26.37%)g 0.19( 6.55%) 1023. (0.00000) RY (37) S 22 s( 8.64%)p 1.87( 16.15%)d 2.32( 20.04%) f 4.32( 37.37%)g 2.06( 17.80%) 1024. (0.00000) RY (38) S 22 s( 9.94%)p 2.16( 21.50%)d 3.11( 30.89%) f 3.09( 30.71%)g 0.70( 6.97%) 1025. (0.00000) RY (39) S 22 s( 10.12%)p 1.33( 13.49%)d 2.72( 27.56%) f 2.26( 22.86%)g 2.57( 25.96%) 1026. (0.00000) RY (40) S 22 s( 4.68%)p 1.36( 6.36%)d 3.70( 17.31%) f11.67( 54.65%)g 3.63( 16.99%) 1027. (0.00000) RY (41) S 22 s( 7.83%)p 2.72( 21.31%)d 4.53( 35.47%) f 4.13( 32.36%)g 0.39( 3.04%) 1028. (0.00000) RY (42) S 22 s( 7.73%)p 2.61( 20.20%)d 3.42( 26.46%) f 5.13( 39.64%)g 0.77( 5.97%) 1029. (0.00000) RY (43) S 22 s( 3.96%)p 1.41( 5.58%)d14.50( 57.46%) f 7.16( 28.40%)g 1.16( 4.61%) 1030. (0.00000) RY (44) S 22 s( 6.27%)p 1.54( 9.65%)d 9.00( 56.48%) f 3.23( 20.24%)g 1.17( 7.36%) 1031. (0.00000) RY (45) S 22 s( 3.18%)p 5.19( 16.51%)d13.99( 44.54%) f 8.12( 25.83%)g 3.12( 9.93%) 1032. (0.00000) RY (46) S 22 s( 5.25%)p 3.28( 17.23%)d11.30( 59.36%) f 2.95( 15.50%)g 0.51( 2.66%) 1033. (0.00000) RY (47) S 22 s( 16.13%)p 1.20( 19.28%)d 2.32( 37.41%) f 1.46( 23.52%)g 0.23( 3.65%) 1034. (0.00000) RY (48) S 22 s( 97.66%)p 0.02( 1.61%)d 0.01( 0.54%) f 0.00( 0.10%)g 0.00( 0.09%) 1035. (0.00000) RY (49) S 22 s( 93.32%)p 0.02( 1.65%)d 0.03( 2.37%) f 0.01( 1.07%)g 0.02( 1.60%) 1036. (0.00000) RY (50) S 22 s( 39.61%)p 0.28( 10.93%)d 0.73( 29.02%) f 0.11( 4.54%)g 0.40( 15.90%) 1037. (0.00000) RY (51) S 22 s( 11.85%)p 6.26( 74.24%)d 0.71( 8.47%) f 0.17( 1.97%)g 0.29( 3.47%) 1038. (0.00000) RY (52) S 22 s( 5.46%)p10.43( 56.93%)d 5.49( 29.96%) f 0.68( 3.72%)g 0.72( 3.93%) 1039. (0.00000) RY (53) S 22 s( 19.38%)p 1.41( 27.37%)d 2.02( 39.09%) f 0.18( 3.51%)g 0.55( 10.65%) 1040. (0.00000) RY (54) S 22 s( 11.81%)p 1.24( 14.62%)d 0.14( 1.63%) f 1.90( 22.38%)g 4.20( 49.56%) 1041. (0.00000) RY (55) S 22 s( 1.58%)p23.17( 36.70%)d24.91( 39.45%) f11.25( 17.81%)g 2.81( 4.45%) 1042. (0.00000) RY (56) S 22 s( 2.44%)p10.45( 25.48%)d11.93( 29.09%) f 6.77( 16.52%)g10.85( 26.47%) 1043. (0.00000) RY (57) S 22 s( 0.47%)p14.01( 6.62%)d69.72( 32.96%) f37.31( 17.64%)g89.49( 42.31%) 1044. (0.00000) RY (58) S 22 s( 1.27%)p 3.14( 3.98%)d10.82( 13.72%) f43.02( 54.51%)g20.93( 26.52%) 1045. (0.00000) RY (59) S 22 s( 3.83%)p 3.39( 12.97%)d 4.14( 15.85%) f 6.17( 23.61%)g11.44( 43.75%) 1046. (0.00000) RY (60) S 22 s( 1.06%)p16.01( 16.97%)d14.05( 14.90%) f13.93( 14.77%)g49.32( 52.30%) 1047. (0.00000) RY (61) S 22 s( 3.36%)p 3.35( 11.24%)d 6.59( 22.14%) f11.51( 38.63%)g 7.34( 24.63%) 1048. (0.01586) RY ( 1) S 23 s( 9.52%)p 0.17( 1.64%)d 9.13( 86.95%) f 0.18( 1.75%)g 0.01( 0.14%) 0.0000 0.0000 -0.0165 0.3081 0.0022 -0.0015 -0.0003 0.0002 -0.0001 0.0000 0.0237 0.0185 -0.0352 -0.0073 0.0010 0.0000 0.0064 -0.0156 -0.0087 -0.0018 0.0002 0.0000 -0.0249 0.1078 0.0391 0.0104 -0.0010 -0.0334 0.0002 0.0001 0.0002 0.2212 0.0001 0.0026 -0.0012 0.3239 -0.0044 0.0093 -0.0008 -0.6814 0.0016 -0.0158 0.0013 -0.4995 0.0128 -0.0172 0.0018 -0.0390 -0.0023 0.0516 0.0107 0.0465 0.0041 -0.0706 -0.0091 -0.0328 -0.0077 0.0647 0.0175 0.0170 0.0022 0.0178 0.0100 -0.0172 0.0032 -0.0111 0.0144 -0.0075 0.0155 -0.0054 1049. (0.00832) RY ( 2) S 23 s( 0.00%)p 1.00( 19.71%)d 3.83( 75.59%) f 0.22( 4.42%)g 0.01( 0.28%) 0.0000 0.0000 -0.0001 0.0020 0.0010 0.0002 0.0000 0.0000 0.0000 0.0000 -0.0012 -0.0073 0.0020 -0.0003 0.0001 0.0000 -0.1450 -0.4060 0.0519 0.0043 0.0001 0.0000 -0.0301 -0.0861 0.0109 0.0011 0.0000 -0.4933 -0.0054 -0.0266 0.0005 -0.0915 0.0009 -0.0052 0.0001 0.6535 0.0327 0.0216 -0.0019 0.1223 -0.0061 0.0040 -0.0003 0.2439 0.0115 0.0083 -0.0007 0.0546 0.0181 -0.0377 -0.0133 0.0932 0.0315 0.0573 0.0164 -0.1154 -0.0394 -0.0267 -0.0098 0.0995 0.0222 -0.0016 -0.0204 -0.0031 0.0051 -0.0408 -0.0183 0.0179 0.0062 -0.0027 1050. (0.00390) RY ( 3) S 23 s( 8.76%)p 6.06( 53.08%)d 4.24( 37.11%) f 0.10( 0.85%)g 0.02( 0.21%) 0.0000 0.0000 0.0008 0.2958 -0.0070 0.0011 -0.0019 0.0005 0.0001 0.0000 0.0026 0.6028 -0.0719 0.0235 0.0002 0.0000 -0.0004 -0.0924 -0.0168 -0.0013 0.0000 0.0000 -0.0052 0.3795 0.0933 0.0058 0.0000 -0.0344 -0.0009 -0.0001 -0.0005 0.0533 -0.0132 -0.0016 0.0031 0.0144 0.0054 0.0033 -0.0014 0.4964 -0.0356 0.0071 -0.0029 -0.3430 -0.0317 -0.0126 0.0054 -0.0310 0.0029 0.0373 0.0262 -0.0017 -0.0163 0.0472 0.0367 -0.0089 -0.0164 -0.0245 0.0228 -0.0097 -0.0094 0.0073 0.0214 -0.0150 0.0157 -0.0051 -0.0127 0.0026 -0.0293 0.0048 1051. (0.00283) RY ( 4) S 23 s( 0.00%)p 1.00( 13.96%)d 5.98( 83.44%) f 0.17( 2.42%)g 0.01( 0.18%) 0.0000 0.0000 0.0001 0.0050 -0.0007 0.0002 0.0000 0.0000 0.0000 0.0000 -0.0002 0.0129 -0.0044 0.0006 0.0000 0.0000 0.0227 0.3095 -0.1901 0.0088 0.0007 0.0000 0.0048 0.0741 -0.0366 0.0018 0.0001 0.6209 -0.0719 0.0142 -0.0117 0.1426 0.0140 0.0031 -0.0023 0.5946 0.0072 -0.0041 0.0020 0.1448 -0.0033 -0.0006 0.0002 0.2198 0.0008 -0.0015 0.0009 0.0527 0.0252 0.0031 0.0029 0.0930 0.0453 0.0141 0.0031 0.0038 0.0052 -0.0014 0.0009 -0.0819 -0.0554 0.0042 -0.0120 0.0061 -0.0078 -0.0249 -0.0146 -0.0250 -0.0085 -0.0064 1052. (0.00067) RY ( 5) S 23 s( 11.04%)p 4.34( 47.92%)d 3.58( 39.55%) f 0.09( 0.94%)g 0.05( 0.55%) 0.0000 0.0000 -0.0068 -0.2295 0.2399 0.0110 -0.0028 0.0001 -0.0001 0.0000 0.0312 -0.0213 0.5015 -0.0176 0.0030 0.0000 -0.0043 0.0822 -0.0342 -0.0033 0.0002 0.0000 0.0197 -0.4476 0.1305 0.0144 -0.0002 0.0265 0.0018 0.0078 0.0001 -0.0971 0.0055 -0.0299 -0.0018 0.1470 -0.0070 0.0122 0.0020 0.2444 0.1417 -0.0009 0.0071 -0.5226 0.0919 -0.0327 -0.0077 -0.0401 -0.0064 0.0192 -0.0081 0.0300 0.0190 -0.0195 -0.0458 -0.0210 0.0050 0.0542 -0.0031 0.0037 0.0120 -0.0079 -0.0286 0.0100 -0.0097 0.0205 -0.0108 -0.0142 0.0607 0.0033 1053. (0.00049) RY ( 6) S 23 s( 7.46%)p 8.37( 62.40%)d 3.68( 27.41%) f 0.32( 2.38%)g 0.05( 0.35%) 0.0000 0.0000 -0.0168 0.2496 0.1056 -0.0285 0.0033 0.0003 0.0001 0.0000 0.0281 0.5342 0.0903 -0.0050 -0.0034 0.0000 0.0089 0.0716 0.0826 -0.0008 -0.0006 0.0000 -0.0438 -0.3854 -0.4088 0.0024 0.0031 0.0924 -0.0227 0.0003 0.0019 -0.3990 -0.1294 0.0037 -0.0076 -0.0055 0.0102 -0.0078 0.0031 -0.2374 -0.0394 -0.0097 -0.0096 0.1671 -0.0459 0.0256 -0.0024 0.0175 -0.0554 -0.0734 0.0001 -0.0173 0.0429 0.0234 -0.0292 0.0421 -0.0191 -0.0667 0.0695 -0.0043 0.0078 -0.0257 0.0118 0.0168 0.0066 -0.0232 0.0381 0.0033 -0.0166 -0.0116 1054. (0.00033) RY ( 7) S 23 s( 2.93%)p 5.17( 15.15%)d26.37( 77.30%) f 1.52( 4.44%)g 0.06( 0.17%) 0.0000 0.0000 0.0147 0.0036 0.1702 -0.0074 0.0076 -0.0003 0.0001 0.0000 -0.0571 0.1759 0.3073 0.0205 -0.0020 0.0000 -0.0041 -0.0016 0.0195 -0.0079 -0.0001 0.0000 0.0257 -0.0879 -0.1131 0.0288 0.0023 -0.1431 -0.0490 -0.0072 0.0016 0.7393 -0.2666 0.0459 -0.0062 -0.1012 0.0997 -0.0216 0.0001 0.0004 0.1335 0.0186 -0.0035 0.2272 -0.1950 0.0431 0.0039 0.1449 -0.0539 0.0193 0.0234 -0.0470 0.0392 -0.0973 -0.0323 -0.0067 -0.0248 0.0151 0.0609 0.0260 0.0098 -0.0038 -0.0113 0.0050 -0.0082 0.0009 0.0166 -0.0057 0.0341 -0.0046 1055. (0.00021) RY ( 8) S 23 s( 0.01%)p 1.00( 37.25%)d 1.47( 54.85%) f 0.18( 6.70%)g 0.03( 1.20%) 0.0000 0.0000 0.0002 -0.0025 0.0068 -0.0005 0.0004 0.0000 0.0000 0.0000 -0.0006 0.0083 0.0204 0.0004 -0.0002 0.0000 -0.0042 0.4702 0.3698 0.0238 -0.0089 0.0000 -0.0005 0.0961 0.0658 0.0064 -0.0018 -0.2842 -0.6281 -0.0952 -0.0020 -0.0505 0.1232 -0.0185 -0.0012 0.0803 -0.1748 0.0290 -0.0261 0.0153 0.0341 0.0046 -0.0057 0.0298 -0.0708 0.0118 -0.0099 -0.0667 0.0388 -0.0101 0.0455 -0.1185 0.0744 -0.0608 -0.0050 -0.0223 0.1266 -0.0109 0.0341 -0.0494 -0.1237 0.0309 0.0065 0.0429 -0.0133 0.0152 -0.0052 -0.0848 -0.0243 -0.0300 1056. (0.00010) RY ( 9) S 23 s( 0.01%)p99.99( 19.41%)d99.99( 54.86%) f99.99( 20.03%)g99.99( 5.69%) 1057. (0.00005) RY (10) S 23 s( 7.00%)p 1.17( 8.22%)d 3.88( 27.16%) f 8.10( 56.66%)g 0.14( 0.96%) 1058. (0.00003) RY (11) S 23 s( 0.03%)p99.99( 37.84%)d99.99( 40.92%) f99.99( 19.36%)g69.90( 1.85%) 1059. (0.00001) RY (12) S 23 s( 6.29%)p 8.49( 53.45%)d 5.46( 34.34%) f 0.89( 5.61%)g 0.05( 0.30%) 1060. (0.00001) RY (13) S 23 s( 0.30%)p99.99( 43.62%)d74.64( 22.30%) f99.99( 30.99%)g 9.31( 2.78%) 1061. (0.00001) RY (14) S 23 s( 41.41%)p 0.52( 21.40%)d 0.75( 30.86%) f 0.14( 5.90%)g 0.01( 0.42%) 1062. (0.00000) RY (15) S 23 s( 6.54%)p 3.68( 24.05%)d 9.99( 65.28%) f 0.60( 3.91%)g 0.03( 0.22%) 1063. (0.00001) RY (16) S 23 s( 15.62%)p 0.37( 5.77%)d 4.59( 71.74%) f 0.35( 5.43%)g 0.09( 1.44%) 1064. (0.00000) RY (17) S 23 s( 0.02%)p99.99( 19.39%)d99.99( 15.37%) f99.99( 62.06%)g99.99( 3.16%) 1065. (0.00000) RY (18) S 23 s( 1.11%)p41.12( 45.73%)d45.12( 50.18%) f 2.40( 2.67%)g 0.27( 0.30%) 1066. (0.00000) RY (19) S 23 s( 0.80%)p11.00( 8.85%)d32.85( 26.44%) f48.98( 39.42%)g30.42( 24.48%) 1067. (0.00000) RY (20) S 23 s( 9.04%)p 1.24( 11.22%)d 1.93( 17.41%) f 3.33( 30.07%)g 3.57( 32.26%) 1068. (0.00000) RY (21) S 23 s( 3.93%)p 1.80( 7.07%)d 6.72( 26.41%) f 7.79( 30.58%)g 8.15( 32.02%) 1069. (0.00000) RY (22) S 23 s( 0.58%)p 4.50( 2.61%)d44.45( 25.76%) f72.83( 42.21%)g49.75( 28.84%) 1070. (0.00000) RY (23) S 23 s( 2.16%)p 4.69( 10.14%)d10.54( 22.82%) f 6.16( 13.33%)g23.81( 51.54%) 1071. (0.00000) RY (24) S 23 s( 0.02%)p75.39( 1.17%)d99.99( 37.45%) f99.99( 41.16%)g99.99( 20.21%) 1072. (0.00000) RY (25) S 23 s( 3.05%)p 3.28( 9.99%)d14.61( 44.60%) f 9.35( 28.52%)g 4.53( 13.83%) 1073. (0.00000) RY (26) S 23 s( 1.24%)p 7.70( 9.58%)d26.61( 33.11%) f28.33( 35.24%)g16.74( 20.83%) 1074. (0.00000) RY (27) S 23 s( 2.07%)p 4.62( 9.56%)d11.17( 23.12%) f21.22( 43.90%)g10.31( 21.34%) 1075. (0.00000) RY (28) S 23 s( 0.19%)p27.05( 5.20%)d99.99( 25.68%) f99.99( 27.24%)g99.99( 41.70%) 1076. (0.00000) RY (29) S 23 s( 2.70%)p 7.17( 19.36%)d 9.65( 26.04%) f15.06( 40.65%)g 4.16( 11.24%) 1077. (0.00000) RY (30) S 23 s( 0.42%)p 8.17( 3.40%)d49.64( 20.65%) f84.69( 35.23%)g96.89( 40.30%) 1078. (0.00000) RY (31) S 23 s( 1.00%)p 8.88( 8.86%)d28.80( 28.73%) f38.71( 38.62%)g22.85( 22.80%) 1079. (0.00000) RY (32) S 23 s( 10.73%)p 1.46( 15.70%)d 3.00( 32.22%) f 1.67( 17.93%)g 2.18( 23.43%) 1080. (0.00000) RY (33) S 23 s( 0.60%)p10.02( 5.99%)d75.61( 45.18%) f34.39( 20.55%)g46.32( 27.68%) 1081. (0.00000) RY (34) S 23 s( 0.52%)p97.01( 50.56%)d33.36( 17.39%) f36.85( 19.20%)g23.67( 12.33%) 1082. (0.00000) RY (35) S 23 s( 17.61%)p 0.47( 8.34%)d 1.20( 21.05%) f 0.97( 17.14%)g 2.04( 35.86%) 1083. (0.00000) RY (36) S 23 s( 29.79%)p 0.56( 16.81%)d 0.39( 11.53%) f 0.95( 28.43%)g 0.45( 13.45%) 1084. (0.00000) RY (37) S 23 s( 1.55%)p11.66( 18.10%)d15.87( 24.64%) f19.43( 30.17%)g16.45( 25.54%) 1085. (0.00000) RY (38) S 23 s( 16.43%)p 1.56( 25.63%)d 1.13( 18.62%) f 1.68( 27.54%)g 0.72( 11.78%) 1086. (0.00000) RY (39) S 23 s( 9.43%)p 1.68( 15.87%)d 1.90( 17.89%) f 4.18( 39.44%)g 1.84( 17.38%) 1087. (0.00000) RY (40) S 23 s( 19.31%)p 0.63( 12.14%)d 1.70( 32.83%) f 1.63( 31.55%)g 0.22( 4.16%) 1088. (0.00000) RY (41) S 23 s( 3.20%)p 4.01( 12.82%)d 3.82( 12.21%) f21.40( 68.40%)g 1.05( 3.36%) 1089. (0.00000) RY (42) S 23 s( 5.12%)p 1.85( 9.49%)d 6.05( 30.98%) f 9.43( 48.29%)g 1.19( 6.11%) 1090. (0.00000) RY (43) S 23 s( 0.27%)p28.35( 7.67%)d99.99( 34.68%) f99.99( 29.70%)g99.99( 27.68%) 1091. (0.00000) RY (44) S 23 s( 3.31%)p 1.57( 5.20%)d11.99( 39.71%) f11.99( 39.72%)g 3.64( 12.06%) 1092. (0.00000) RY (45) S 23 s( 7.03%)p 3.66( 25.71%)d 4.19( 29.45%) f 4.14( 29.14%)g 1.23( 8.66%) 1093. (0.00000) RY (46) S 23 s( 0.54%)p11.33( 6.08%)d99.99( 57.68%) f47.08( 25.25%)g19.49( 10.46%) 1094. (0.00000) RY (47) S 23 s( 34.73%)p 0.60( 20.70%)d 1.01( 35.04%) f 0.14( 4.87%)g 0.13( 4.66%) 1095. (0.00000) RY (48) S 23 s( 0.18%)p99.99( 23.85%)d99.99( 72.88%) f14.94( 2.64%)g 2.51( 0.44%) 1096. (0.00000) RY (49) S 23 s( 98.91%)p 0.00( 0.41%)d 0.00( 0.35%) f 0.00( 0.22%)g 0.00( 0.11%) 1097. (0.00000) RY (50) S 23 s( 77.95%)p 0.14( 10.71%)d 0.06( 4.29%) f 0.02( 1.82%)g 0.07( 5.23%) 1098. (0.00000) RY (51) S 23 s( 47.53%)p 0.85( 40.48%)d 0.08( 4.02%) f 0.10( 4.83%)g 0.07( 3.15%) 1099. (0.00000) RY (52) S 23 s( 0.64%)p65.21( 41.69%)d77.83( 49.76%) f10.10( 6.46%)g 2.27( 1.45%) 1100. (0.00000) RY (53) S 23 s( 42.32%)p 0.95( 40.31%)d 0.16( 6.98%) f 0.06( 2.66%)g 0.18( 7.73%) 1101. (0.00000) RY (54) S 23 s( 2.81%)p 7.30( 20.48%)d 4.04( 11.34%) f14.39( 40.40%)g 8.89( 24.97%) 1102. (0.00000) RY (55) S 23 s( 0.35%)p99.99( 44.03%)d99.99( 40.65%) f17.33( 6.15%)g24.85( 8.82%) 1103. (0.00000) RY (56) S 23 s( 7.20%)p 2.73( 19.69%)d 1.62( 11.67%) f 7.46( 53.72%)g 1.07( 7.71%) 1104. (0.00000) RY (57) S 23 s( 2.32%)p 3.38( 7.86%)d 6.57( 15.27%) f10.69( 24.85%)g21.38( 49.70%) 1105. (0.00000) RY (58) S 23 s( 7.35%)p 4.61( 33.83%)d 0.91( 6.69%) f 4.53( 33.30%)g 2.56( 18.83%) 1106. (0.00000) RY (59) S 23 s( 0.31%)p 3.59( 1.11%)d25.86( 8.03%) f21.91( 6.80%)g99.99( 83.75%) 1107. (0.00000) RY (60) S 23 s( 4.16%)p 0.73( 3.04%)d 7.72( 32.11%) f 5.08( 21.16%)g 9.50( 39.52%) 1108. (0.00000) RY (61) S 23 s( 2.34%)p 9.36( 21.89%)d 7.99( 18.69%) f14.84( 34.71%)g 9.56( 22.37%) 1109. (0.01962) RY ( 1) S 24 s( 13.69%)p 0.19( 2.58%)d 5.96( 81.62%) f 0.14( 1.91%)g 0.01( 0.20%) 0.0000 0.0000 -0.0210 0.3691 0.0147 -0.0025 0.0000 0.0001 -0.0001 0.0000 -0.0032 0.0564 -0.0114 -0.0003 0.0003 0.0000 -0.0472 -0.0097 0.0405 0.0092 -0.0005 0.0000 0.0338 0.1265 -0.0350 -0.0037 0.0003 0.6770 0.0104 0.0142 -0.0011 -0.1371 -0.0007 -0.0019 0.0000 0.1679 0.0014 -0.0011 -0.0011 0.2717 -0.0171 0.0086 -0.0008 -0.4860 0.0103 -0.0140 0.0011 0.0145 0.0046 0.0419 0.0058 -0.0382 -0.0060 -0.0091 -0.0026 -0.0713 -0.0096 -0.0937 -0.0146 -0.0366 -0.0028 0.0301 -0.0035 -0.0008 -0.0138 -0.0125 0.0093 0.0133 -0.0120 0.0175 1110. (0.01083) RY ( 2) S 24 s( 0.58%)p38.12( 21.95%)d99.99( 73.37%) f 6.74( 3.88%)g 0.39( 0.22%) 0.0000 0.0000 -0.0083 0.0734 -0.0173 -0.0012 0.0007 0.0000 0.0000 0.0000 0.1248 -0.2745 -0.0392 0.0078 -0.0013 0.0000 0.0625 -0.2765 -0.0125 -0.0022 0.0003 0.0000 0.0194 -0.2131 0.0247 0.0047 -0.0004 -0.0062 -0.0043 -0.0008 -0.0008 0.6243 0.0035 0.0129 -0.0005 0.3494 0.0219 0.0078 -0.0017 0.4497 0.0054 0.0081 0.0006 0.1368 -0.0054 0.0077 -0.0011 0.0033 -0.0095 -0.0884 -0.0309 -0.0158 -0.0140 -0.1216 -0.0349 0.0590 0.0111 -0.0239 0.0029 0.0929 0.0266 -0.0083 -0.0139 -0.0174 0.0306 -0.0154 0.0076 -0.0170 -0.0108 0.0059 1111. (0.00640) RY ( 3) S 24 s( 0.15%)p99.99( 36.02%)d99.99( 61.40%) f14.07( 2.17%)g 1.72( 0.26%) 0.0000 0.0000 0.0006 0.0384 -0.0073 0.0003 -0.0026 0.0001 0.0000 0.0000 0.0552 -0.2864 -0.0877 0.0019 0.0016 0.0000 0.0399 0.2418 -0.0163 -0.0072 0.0002 0.0000 0.0097 0.4540 -0.0273 0.0084 -0.0010 -0.5115 -0.0129 -0.0167 0.0046 -0.1896 0.0120 -0.0121 0.0002 0.0015 -0.0124 0.0116 -0.0005 0.4783 -0.0234 0.0158 -0.0037 -0.2926 -0.0046 -0.0065 0.0031 -0.0041 -0.0108 0.0485 0.0254 -0.0238 -0.0044 -0.0021 -0.0063 0.0336 0.0415 0.0104 -0.0199 0.1158 0.0336 0.0221 -0.0156 0.0059 -0.0181 -0.0014 -0.0103 -0.0295 0.0119 -0.0208 1112. (0.00332) RY ( 4) S 24 s( 6.27%)p 4.35( 27.28%)d10.24( 64.22%) f 0.32( 2.03%)g 0.03( 0.19%) 0.0000 0.0000 0.0011 0.2501 0.0137 0.0002 -0.0016 0.0003 0.0001 0.0000 -0.0207 0.0239 0.0914 0.0020 0.0009 0.0000 -0.0149 0.4260 0.0882 0.0003 -0.0006 0.0000 0.0008 0.2695 -0.0366 0.0047 -0.0010 -0.1158 0.0146 0.0020 -0.0011 0.3610 0.0294 0.0016 -0.0026 0.4966 0.0278 0.0062 -0.0028 -0.4806 -0.0874 -0.0051 0.0061 -0.0968 -0.0429 -0.0078 0.0039 -0.0178 -0.0204 -0.0507 -0.0158 -0.0574 -0.0405 -0.0182 -0.0066 0.0314 0.0220 0.0265 -0.0125 -0.0801 -0.0518 0.0078 -0.0058 -0.0042 0.0287 -0.0105 -0.0197 0.0204 0.0046 -0.0074 1113. (0.00089) RY ( 5) S 24 s( 21.84%)p 0.92( 20.07%)d 2.57( 56.12%) f 0.07( 1.48%)g 0.02( 0.49%) 0.0000 0.0000 -0.0169 0.4603 -0.0761 -0.0206 0.0000 0.0004 0.0002 0.0000 0.0144 0.0190 -0.1924 -0.0017 0.0009 0.0000 -0.0393 0.3221 0.0097 -0.0181 0.0053 0.0000 0.0549 -0.0269 0.2313 -0.0107 0.0005 0.0503 0.0035 -0.0195 0.0075 0.3208 0.0288 0.0284 -0.0086 -0.6063 0.1523 -0.0324 -0.0060 0.0843 -0.1761 0.0454 -0.0020 0.1390 0.0459 0.0069 -0.0038 0.0241 0.0168 -0.0181 -0.0300 0.0004 -0.0124 0.0707 0.0019 0.0227 0.0009 0.0683 -0.0166 -0.0083 -0.0453 -0.0008 0.0041 0.0195 0.0371 -0.0194 0.0140 0.0330 0.0135 -0.0358 1114. (0.00049) RY ( 6) S 24 s( 0.29%)p46.23( 13.52%)d99.99( 82.83%) f11.13( 3.25%)g 0.35( 0.10%) 0.0000 0.0000 0.0143 0.0479 -0.0201 -0.0010 0.0045 0.0002 0.0003 0.0000 -0.0341 -0.0528 0.0330 0.0072 0.0008 0.0000 0.0499 0.1001 0.1127 -0.0101 0.0016 0.0000 0.0044 0.3081 0.0966 -0.0227 -0.0012 0.2269 0.0358 0.0015 0.0022 -0.2599 0.0300 -0.0200 0.0012 0.1925 -0.1075 0.0186 -0.0065 0.2023 -0.2365 0.0349 0.0049 0.6716 -0.3226 0.0664 0.0012 -0.0714 0.0070 -0.0517 0.0068 0.0929 -0.0506 -0.0127 0.0351 -0.0434 -0.0061 0.0192 -0.0354 -0.0807 -0.0451 -0.0007 -0.0012 0.0146 0.0042 -0.0028 0.0132 0.0208 0.0112 -0.0067 1115. (0.00036) RY ( 7) S 24 s( 11.86%)p 5.88( 69.76%)d 1.08( 12.80%) f 0.45( 5.28%)g 0.03( 0.30%) 0.0000 0.0000 0.0056 0.3051 -0.1568 0.0093 -0.0279 0.0004 -0.0001 0.0000 0.0088 0.0553 -0.3781 0.0482 0.0033 0.0000 -0.0060 -0.5645 0.2682 -0.0225 0.0009 0.0000 0.0043 0.2891 -0.2684 0.0486 0.0025 -0.1590 -0.0032 -0.0267 -0.0038 -0.0550 -0.0671 -0.0327 -0.0130 -0.0228 0.1729 0.0085 -0.0026 -0.1864 -0.1157 -0.0100 -0.0070 0.0757 0.0924 0.0134 0.0028 0.0385 -0.0845 -0.0189 0.0054 -0.0314 0.0106 -0.0374 0.0751 0.0261 0.0348 -0.1077 0.1270 -0.0692 -0.0350 0.0142 0.0018 -0.0104 0.0172 -0.0055 -0.0228 0.0049 0.0405 -0.0134 1116. (0.00030) RY ( 8) S 24 s( 20.70%)p 2.07( 42.77%)d 1.39( 28.83%) f 0.35( 7.22%)g 0.02( 0.47%) 0.0000 0.0000 -0.0041 0.4322 0.1418 0.0066 -0.0012 0.0005 -0.0001 0.0000 0.0101 -0.2687 -0.0626 0.0238 0.0032 0.0000 -0.0056 0.0018 -0.3494 0.0173 -0.0006 0.0000 -0.0027 -0.4538 -0.1502 0.0016 0.0000 -0.1863 0.1820 0.0173 -0.0046 -0.2966 -0.0881 -0.0245 -0.0065 0.1561 -0.1101 -0.0073 -0.0007 -0.0861 -0.2796 -0.0079 -0.0021 0.0171 -0.0360 -0.0063 -0.0016 0.0331 0.0025 0.1769 -0.0602 0.1051 -0.0349 0.0212 0.0447 0.0066 -0.0878 0.0573 -0.0151 -0.0946 -0.0359 -0.0117 0.0273 0.0133 -0.0253 0.0215 0.0104 0.0269 -0.0271 0.0314 1117. (0.00010) RY ( 9) S 24 s( 3.61%)p10.39( 37.54%)d11.00( 39.74%) f 4.79( 17.32%)g 0.49( 1.79%) 0.0000 0.0000 0.0038 0.1893 0.0066 0.0153 -0.0019 0.0000 -0.0001 0.0000 -0.0021 0.3090 0.4605 -0.0562 0.0055 0.0000 0.0028 -0.0430 0.0771 -0.0434 -0.0025 0.0000 -0.0051 -0.0982 -0.2123 -0.0138 -0.0007 -0.1444 0.0686 -0.0796 0.0036 -0.1325 0.3401 0.0233 -0.0033 0.0749 0.2532 -0.0066 0.0001 0.2020 -0.1057 0.1572 -0.0026 0.1038 0.2691 -0.0461 -0.0003 -0.0644 0.0037 -0.1844 -0.0437 -0.1771 0.0466 0.1776 -0.1041 -0.0248 0.0081 0.1705 0.0329 0.1246 -0.1041 -0.0203 0.0231 -0.0329 0.0950 0.0002 -0.0512 0.0280 -0.0440 0.0386 1118. (0.00008) RY (10) S 24 s( 3.92%)p14.50( 56.88%)d 6.30( 24.73%) f 3.48( 13.66%)g 0.21( 0.81%) 1119. (0.00004) RY (11) S 24 s( 9.59%)p 4.70( 45.10%)d 2.01( 19.30%) f 2.44( 23.44%)g 0.27( 2.57%) 1120. (0.00003) RY (12) S 24 s( 2.80%)p18.80( 52.59%)d 7.74( 21.66%) f 7.93( 22.17%)g 0.28( 0.79%) 1121. (0.00003) RY (13) S 24 s( 8.35%)p 3.29( 27.49%)d 3.73( 31.19%) f 3.52( 29.44%)g 0.42( 3.54%) 1122. (0.00002) RY (14) S 24 s( 2.74%)p 4.46( 12.22%)d18.87( 51.75%) f11.87( 32.56%)g 0.26( 0.72%) 1123. (0.00001) RY (15) S 24 s( 7.74%)p 2.41( 18.69%)d 5.72( 44.32%) f 3.59( 27.77%)g 0.19( 1.48%) 1124. (0.00001) RY (16) S 24 s( 3.25%)p 5.80( 18.83%)d10.58( 34.35%) f12.24( 39.75%)g 1.18( 3.82%) 1125. (0.00001) RY (17) S 24 s( 6.76%)p 1.98( 13.38%)d 8.57( 57.93%) f 2.90( 19.60%)g 0.34( 2.32%) 1126. (0.00000) RY (18) S 24 s( 3.19%)p 2.61( 8.32%)d19.34( 61.74%) f 8.05( 25.69%)g 0.33( 1.05%) 1127. (0.00001) RY (19) S 24 s( 3.02%)p 6.11( 18.46%)d20.81( 62.87%) f 5.08( 15.34%)g 0.10( 0.31%) 1128. (0.00000) RY (20) S 24 s( 1.81%)p 6.96( 12.61%)d25.09( 45.48%) f 9.12( 16.53%)g13.01( 23.58%) 1129. (0.00000) RY (21) S 24 s( 15.29%)p 0.33( 5.02%)d 0.91( 13.97%) f 3.14( 47.94%)g 1.16( 17.78%) 1130. (0.00000) RY (22) S 24 s( 1.19%)p 6.11( 7.26%)d44.30( 52.59%) f14.98( 17.78%)g17.84( 21.18%) 1131. (0.00000) RY (23) S 24 s( 2.70%)p 4.11( 11.08%)d 2.41( 6.49%) f 5.38( 14.51%)g24.19( 65.22%) 1132. (0.00000) RY (24) S 24 s( 2.05%)p 3.95( 8.11%)d14.54( 29.85%) f13.75( 28.23%)g15.46( 31.76%) 1133. (0.00000) RY (25) S 24 s( 0.58%)p10.93( 6.33%)d54.60( 31.63%) f23.12( 13.39%)g82.96( 48.06%) 1134. (0.00000) RY (26) S 24 s( 2.63%)p 1.91( 5.01%)d 7.27( 19.09%) f11.90( 31.25%)g16.00( 42.02%) 1135. (0.00000) RY (27) S 24 s( 0.36%)p18.69( 6.76%)d29.43( 10.64%) f99.99( 63.97%)g50.53( 18.27%) 1136. (0.00000) RY (28) S 24 s( 1.67%)p 6.62( 11.07%)d22.07( 36.91%) f14.43( 24.14%)g15.66( 26.20%) 1137. (0.00000) RY (29) S 24 s( 0.28%)p13.47( 3.73%)d52.49( 14.51%) f99.99( 46.74%)g99.99( 34.75%) 1138. (0.00000) RY (30) S 24 s( 0.40%)p24.18( 9.56%)d52.47( 20.75%) f59.25( 23.43%)g99.99( 45.85%) 1139. (0.00000) RY (31) S 24 s( 6.03%)p 4.22( 25.43%)d 2.22( 13.36%) f 3.30( 19.91%)g 5.85( 35.26%) 1140. (0.00000) RY (32) S 24 s( 2.04%)p13.51( 27.53%)d 5.87( 11.96%) f20.76( 42.31%)g 7.93( 16.16%) 1141. (0.00000) RY (33) S 24 s( 21.76%)p 0.83( 18.01%)d 0.91( 19.73%) f 1.42( 30.95%)g 0.44( 9.56%) 1142. (0.00000) RY (34) S 24 s( 1.21%)p12.65( 15.26%)d19.05( 22.99%) f42.26( 50.98%)g 7.93( 9.57%) 1143. (0.00000) RY (35) S 24 s( 1.32%)p 3.64( 4.81%)d25.92( 34.28%) f29.82( 39.44%)g15.24( 20.15%) 1144. (0.00000) RY (36) S 24 s( 38.63%)p 0.47( 18.22%)d 0.32( 12.54%) f 0.63( 24.24%)g 0.16( 6.37%) 1145. (0.00000) RY (37) S 24 s( 5.27%)p 3.48( 18.35%)d 4.46( 23.50%) f 6.36( 33.52%)g 3.68( 19.36%) 1146. (0.00000) RY (38) S 24 s( 12.38%)p 0.46( 5.68%)d 1.77( 21.96%) f 2.53( 31.32%)g 2.31( 28.66%) 1147. (0.00000) RY (39) S 24 s( 1.93%)p12.33( 23.80%)d15.58( 30.07%) f21.45( 41.40%)g 1.45( 2.80%) 1148. (0.00000) RY (40) S 24 s( 4.43%)p 1.53( 6.79%)d 3.78( 16.76%) f12.83( 56.79%)g 3.44( 15.24%) 1149. (0.00000) RY (41) S 24 s( 8.29%)p 2.68( 22.22%)d 3.59( 29.79%) f 4.42( 36.63%)g 0.37( 3.07%) 1150. (0.00000) RY (42) S 24 s( 12.47%)p 1.30( 16.27%)d 2.55( 31.78%) f 2.72( 33.91%)g 0.45( 5.57%) 1151. (0.00000) RY (43) S 24 s( 1.65%)p 5.70( 9.40%)d37.67( 62.11%) f13.73( 22.64%)g 2.55( 4.20%) 1152. (0.00000) RY (44) S 24 s( 9.27%)p 0.75( 6.95%)d 5.42( 50.27%) f 2.47( 22.94%)g 1.14( 10.57%) 1153. (0.00000) RY (45) S 24 s( 1.02%)p19.26( 19.63%)d51.18( 52.18%) f21.09( 21.50%)g 5.56( 5.66%) 1154. (0.00000) RY (46) S 24 s( 9.12%)p 2.18( 19.93%)d 5.87( 53.55%) f 1.54( 14.08%)g 0.36( 3.31%) 1155. (0.00000) RY (47) S 24 s( 11.81%)p 1.55( 18.33%)d 3.58( 42.25%) f 2.03( 23.92%)g 0.31( 3.69%) 1156. (0.00000) RY (48) S 24 s( 97.86%)p 0.01( 1.30%)d 0.00( 0.47%) f 0.00( 0.25%)g 0.00( 0.13%) 1157. (0.00000) RY (49) S 24 s( 95.52%)p 0.01( 1.29%)d 0.02( 1.53%) f 0.01( 0.71%)g 0.01( 0.95%) 1158. (0.00000) RY (50) S 24 s( 31.19%)p 0.47( 14.80%)d 1.06( 33.10%) f 0.12( 3.89%)g 0.55( 17.02%) 1159. (0.00000) RY (51) S 24 s( 22.74%)p 2.70( 61.30%)d 0.41( 9.23%) f 0.09( 1.99%)g 0.21( 4.74%) 1160. (0.00000) RY (52) S 24 s( 1.93%)p26.34( 50.87%)d17.01( 32.85%) f 2.54( 4.91%)g 4.89( 9.43%) 1161. (0.00000) RY (53) S 24 s( 14.58%)p 3.44( 50.18%)d 1.80( 26.17%) f 0.10( 1.53%)g 0.52( 7.54%) 1162. (0.00000) RY (54) S 24 s( 16.32%)p 0.67( 11.00%)d 0.27( 4.48%) f 1.47( 24.06%)g 2.71( 44.14%) 1163. (0.00000) RY (55) S 24 s( 0.80%)p51.97( 41.65%)d40.33( 32.32%) f18.57( 14.88%)g12.92( 10.35%) 1164. (0.00000) RY (56) S 24 s( 0.70%)p25.72( 18.00%)d42.40( 29.68%) f46.97( 32.88%)g26.77( 18.74%) 1165. (0.00000) RY (57) S 24 s( 2.72%)p 3.36( 9.16%)d 4.81( 13.10%) f19.36( 52.73%)g 8.18( 22.28%) 1166. (0.00000) RY (58) S 24 s( 0.80%)p 5.88( 4.67%)d57.73( 45.90%) f12.32( 9.79%)g48.85( 38.84%) 1167. (0.00000) RY (59) S 24 s( 3.27%)p 4.25( 13.87%)d 5.16( 16.88%) f 8.67( 28.33%)g11.52( 37.65%) 1168. (0.00000) RY (60) S 24 s( 1.39%)p 9.75( 13.57%)d 6.93( 9.64%) f15.69( 21.82%)g38.51( 53.58%) 1169. (0.00000) RY (61) S 24 s( 1.92%)p 2.77( 5.33%)d10.35( 19.91%) f17.45( 33.57%)g20.42( 39.27%) 1170. (0.00801) RY ( 1) S 25 s( 5.95%)p 1.23( 7.34%)d14.29( 84.96%) f 0.26( 1.53%)g 0.04( 0.23%) 0.0000 0.0000 -0.0116 0.2417 0.0297 -0.0025 0.0003 0.0000 0.0000 0.0000 -0.0050 -0.0451 -0.0111 0.0041 -0.0001 0.0000 -0.0166 -0.1550 0.0148 0.0033 0.0005 0.0000 -0.0111 -0.2130 0.0335 0.0039 0.0003 -0.4559 -0.0575 -0.0115 0.0024 -0.4011 -0.0323 -0.0041 0.0021 -0.0743 -0.0828 0.0106 -0.0011 0.4927 0.1096 0.0023 -0.0016 -0.4465 -0.0983 -0.0050 0.0006 -0.0225 -0.0038 -0.0463 -0.0549 0.0069 -0.0049 -0.0105 0.0007 -0.0466 -0.0330 0.0717 0.0192 -0.0244 -0.0058 0.0228 -0.0100 -0.0011 -0.0284 -0.0044 0.0051 -0.0075 0.0145 -0.0234 1171. (0.00390) RY ( 2) S 25 s( 0.43%)p94.27( 40.97%)d99.99( 56.69%) f 4.10( 1.78%)g 0.27( 0.12%) 0.0000 0.0000 -0.0045 -0.0106 0.0648 -0.0030 0.0011 -0.0001 0.0000 0.0000 -0.0682 -0.2260 -0.0014 0.0134 0.0001 0.0000 -0.0005 -0.5005 -0.0240 0.0333 0.0005 0.0000 -0.0071 0.3172 -0.0280 0.0119 -0.0005 0.1552 -0.2310 0.0182 -0.0033 0.3852 0.1156 -0.0018 -0.0007 -0.0190 -0.1318 0.0088 -0.0002 0.5186 0.0658 0.0217 -0.0048 0.1408 0.1254 -0.0146 -0.0003 -0.0217 -0.0040 0.0061 0.0685 -0.0189 0.0126 0.0090 0.0660 0.0297 -0.0082 0.0519 -0.0606 0.0080 0.0158 -0.0136 0.0054 0.0070 0.0239 0.0029 0.0058 -0.0002 0.0020 -0.0175 1172. (0.00305) RY ( 3) S 25 s( 4.75%)p 7.09( 33.68%)d12.44( 59.13%) f 0.47( 2.25%)g 0.04( 0.19%) 0.0000 0.0000 -0.0119 0.2167 -0.0200 0.0011 0.0017 -0.0001 -0.0001 0.0000 -0.0898 0.5417 0.0212 -0.0550 0.0002 0.0000 0.0046 0.0857 -0.0521 -0.0071 0.0003 0.0000 -0.0218 -0.1401 0.0385 0.0086 0.0006 0.5438 0.2669 -0.0182 0.0006 0.0941 -0.0288 0.0057 0.0019 0.0964 0.0193 -0.0048 -0.0003 0.3222 0.2654 -0.0073 -0.0008 -0.1602 -0.0685 0.0051 0.0001 -0.0035 -0.0105 0.0141 -0.0253 -0.0051 -0.0059 -0.0004 0.0297 0.0286 0.0646 0.0074 -0.0284 -0.0487 0.1112 -0.0040 -0.0199 -0.0023 -0.0037 -0.0016 -0.0022 0.0218 0.0245 0.0209 1173. (0.00164) RY ( 4) S 25 s( 1.95%)p 9.76( 19.01%)d39.29( 76.53%) f 1.21( 2.36%)g 0.08( 0.16%) 0.0000 0.0000 -0.0086 0.1379 -0.0192 0.0039 0.0012 0.0000 -0.0001 0.0000 -0.0424 0.1125 -0.0548 0.0079 0.0003 0.0000 0.0124 0.1445 0.0294 0.0022 0.0001 0.0000 -0.0272 -0.3796 -0.0753 0.0095 0.0015 -0.3180 -0.1053 -0.0025 0.0023 0.7071 0.2208 0.0043 0.0003 -0.1608 -0.1811 0.0002 0.0002 -0.0913 0.0172 0.0002 0.0045 -0.1391 -0.1327 -0.0067 0.0011 -0.0381 0.0061 -0.0311 0.0795 0.0645 -0.0452 0.0354 0.0020 -0.0199 0.0380 -0.0514 0.0420 -0.0283 -0.0168 -0.0190 -0.0226 0.0056 0.0110 0.0031 0.0167 -0.0121 0.0114 0.0016 1174. (0.00089) RY ( 5) S 25 s( 22.23%)p 0.89( 19.79%)d 2.43( 54.10%) f 0.16( 3.51%)g 0.02( 0.37%) 0.0000 0.0000 -0.0048 0.4686 -0.0520 -0.0074 -0.0031 0.0007 0.0001 0.0000 -0.0045 -0.1319 -0.1983 -0.0288 0.0017 0.0000 0.0044 0.2206 0.1161 -0.0345 0.0017 0.0000 -0.0226 0.2678 -0.0621 0.0281 -0.0006 -0.3361 0.3927 -0.0527 0.0038 0.1031 -0.1140 -0.0006 0.0041 0.2264 0.0591 -0.0027 0.0014 0.1281 0.1481 -0.0048 0.0054 0.3918 -0.0216 0.0133 -0.0073 0.0169 -0.0381 0.0979 0.0115 -0.0230 0.0263 -0.0629 0.0658 0.0164 -0.0017 -0.0200 -0.0113 -0.0828 0.0808 -0.0114 -0.0109 -0.0106 0.0092 0.0078 0.0235 0.0473 0.0109 0.0162 1175. (0.00054) RY ( 6) S 25 s( 11.34%)p 2.32( 26.27%)d 4.76( 54.00%) f 0.71( 8.08%)g 0.03( 0.32%) 0.0000 0.0000 0.0018 0.3361 -0.0096 -0.0167 -0.0069 0.0001 -0.0003 0.0000 -0.0281 -0.3382 -0.0558 -0.0076 -0.0011 0.0000 -0.0111 0.2851 0.1531 0.0234 0.0007 0.0000 0.0038 0.0065 0.1926 -0.0424 0.0006 0.2767 -0.3364 0.0173 -0.0044 0.1286 -0.3245 0.0010 -0.0105 0.3068 0.0176 0.0050 0.0011 0.0057 -0.2348 -0.0181 -0.0065 -0.2766 -0.0356 -0.0121 0.0041 -0.1630 0.0024 -0.0978 0.0363 -0.0005 -0.0144 0.1129 -0.0687 -0.0196 -0.0330 0.0751 0.0012 0.1354 0.0142 -0.0016 0.0303 -0.0194 -0.0033 0.0002 0.0001 0.0229 -0.0375 0.0008 1176. (0.00048) RY ( 7) S 25 s( 11.41%)p 1.82( 20.79%)d 4.94( 56.37%) f 0.98( 11.13%)g 0.03( 0.31%) 0.0000 0.0000 0.0117 0.2350 0.2424 0.0028 0.0001 0.0004 0.0001 0.0000 0.0040 -0.2459 0.0872 0.0409 -0.0022 0.0000 0.0209 0.3128 0.0289 0.0284 -0.0026 0.0000 0.0213 0.1925 -0.0262 0.0035 -0.0005 0.1907 -0.1232 0.0002 -0.0056 -0.1089 0.4522 0.0353 -0.0020 -0.4095 0.2540 -0.0209 0.0046 0.0094 0.2050 0.0213 0.0001 -0.0914 -0.1021 -0.0221 0.0031 0.0955 -0.0492 0.0586 0.0228 -0.0038 -0.0368 -0.1165 0.0882 -0.0679 0.0224 -0.2162 0.0728 0.1086 0.0639 -0.0160 0.0204 -0.0050 0.0233 0.0073 0.0091 -0.0047 -0.0271 -0.0304 1177. (0.00031) RY ( 8) S 25 s( 5.83%)p 4.73( 27.54%)d10.29( 59.95%) f 1.12( 6.50%)g 0.03( 0.18%) 0.0000 0.0000 -0.0014 0.0937 0.2225 -0.0032 -0.0003 0.0003 -0.0003 0.0000 0.0058 -0.1068 -0.2019 0.0111 -0.0022 0.0000 -0.0263 -0.1985 -0.3857 0.0668 -0.0034 0.0000 0.0057 0.1629 0.0012 0.0563 -0.0009 -0.0059 0.0537 0.0025 -0.0005 0.0546 -0.0457 0.0180 -0.0013 0.2394 -0.1925 0.0434 -0.0060 -0.4166 0.3886 0.0315 -0.0012 -0.3933 0.1203 -0.0118 0.0003 -0.0180 -0.0423 0.0967 0.0058 -0.0646 0.0059 -0.1756 0.0730 0.0526 -0.0446 -0.0576 0.0034 -0.0680 0.0219 -0.0107 0.0079 0.0074 0.0158 0.0042 -0.0184 -0.0202 0.0050 -0.0220 1178. (0.00025) RY ( 9) S 25 s( 1.29%)p26.08( 33.52%)d45.96( 59.07%) f 4.63( 5.95%)g 0.14( 0.18%) 0.0000 0.0000 -0.0153 -0.0430 0.1036 0.0050 0.0013 0.0000 0.0002 0.0000 -0.0100 0.3275 0.1997 0.0602 -0.0002 0.0000 -0.0252 0.2190 0.0113 -0.0091 -0.0004 0.0000 -0.0162 0.3585 -0.0805 0.0164 -0.0008 -0.1869 -0.0405 0.0195 -0.0011 -0.0290 0.4227 0.0038 -0.0004 0.4339 -0.0961 0.0241 -0.0052 0.1055 -0.2681 0.0329 -0.0002 -0.1874 0.2375 -0.0221 0.0022 -0.0615 -0.0322 -0.0654 0.0273 0.0259 0.0154 0.0676 -0.0373 0.0838 -0.0628 -0.1155 0.0506 0.0774 -0.0995 -0.0153 -0.0041 -0.0003 0.0153 0.0181 0.0246 -0.0077 0.0002 -0.0174 1179. (0.00018) RY (10) S 25 s( 2.11%)p13.17( 27.74%)d26.06( 54.88%) f 7.22( 15.20%)g 0.03( 0.07%) 0.0000 0.0000 -0.0049 0.1238 -0.0746 0.0114 -0.0002 0.0000 0.0001 0.0000 -0.0191 0.1644 0.1774 0.0201 0.0019 0.0000 0.0119 -0.0335 -0.1285 -0.0072 -0.0009 0.0000 0.0059 0.1928 0.4038 -0.0062 -0.0002 -0.1851 0.0700 0.0269 0.0032 0.2115 -0.1973 -0.0306 0.0001 -0.3408 0.3903 0.0007 0.0031 -0.0373 -0.0662 -0.0265 0.0017 -0.1711 0.3464 0.0047 0.0053 0.0203 -0.0055 0.1693 -0.1002 -0.1801 0.0931 0.1135 -0.0434 0.1765 -0.0615 0.1047 -0.0213 0.0587 -0.0846 -0.0038 -0.0135 0.0034 -0.0004 0.0125 0.0066 -0.0135 0.0050 -0.0103 1180. (0.00010) RY (11) S 25 s( 15.10%)p 1.23( 18.57%)d 3.13( 47.29%) f 1.20( 18.13%)g 0.06( 0.91%) 0.0000 0.0000 0.0022 0.3590 -0.1466 0.0241 0.0044 0.0003 -0.0004 0.0000 -0.0173 0.1065 -0.1847 -0.0236 0.0007 0.0000 0.0182 0.0988 -0.2599 -0.0233 -0.0022 0.0000 0.0116 0.0537 -0.2407 0.0135 -0.0049 0.1055 -0.1728 -0.0051 0.0146 -0.1813 -0.0616 -0.0460 0.0108 -0.3534 -0.3462 0.0476 -0.0119 -0.0393 -0.1911 -0.0226 -0.0016 0.1342 0.2983 -0.0084 0.0051 -0.0422 0.1168 -0.2295 -0.0024 0.0235 0.0065 0.0455 0.0049 0.2672 0.0254 -0.0922 -0.0331 -0.1651 -0.0401 0.0379 -0.0210 0.0182 -0.0091 -0.0318 -0.0371 -0.0644 0.0058 -0.0155 1181. (0.00008) RY (12) S 25 s( 4.15%)p 6.08( 25.24%)d10.96( 45.51%) f 5.92( 24.58%)g 0.12( 0.51%) 1182. (0.00005) RY (13) S 25 s( 1.38%)p22.31( 30.85%)d34.73( 48.03%) f13.56( 18.76%)g 0.70( 0.97%) 1183. (0.00004) RY (14) S 25 s( 1.26%)p21.23( 26.78%)d25.96( 32.76%) f30.28( 38.21%)g 0.78( 0.99%) 1184. (0.00003) RY (15) S 25 s( 17.26%)p 1.95( 33.67%)d 1.63( 28.23%) f 1.18( 20.44%)g 0.02( 0.40%) 1185. (0.00002) RY (16) S 25 s( 19.80%)p 0.44( 8.63%)d 1.12( 22.15%) f 2.38( 47.14%)g 0.11( 2.27%) 1186. (0.00002) RY (17) S 25 s( 2.96%)p14.90( 44.13%)d 6.47( 19.15%) f11.22( 33.23%)g 0.18( 0.53%) 1187. (0.00002) RY (18) S 25 s( 2.84%)p 6.58( 18.70%)d 7.73( 21.96%) f19.69( 55.96%)g 0.19( 0.53%) 1188. (0.00002) RY (19) S 25 s( 22.50%)p 0.55( 12.31%)d 0.47( 10.51%) f 2.24( 50.36%)g 0.19( 4.32%) 1189. (0.00001) RY (20) S 25 s( 12.21%)p 3.48( 42.45%)d 1.91( 23.32%) f 1.76( 21.53%)g 0.04( 0.49%) 1190. (0.00001) RY (21) S 25 s( 4.21%)p 6.85( 28.83%)d 2.72( 11.45%) f12.66( 53.28%)g 0.53( 2.24%) 1191. (0.00000) RY (22) S 25 s( 0.83%)p 9.49( 7.84%)d14.50( 11.96%) f36.85( 30.41%)g59.33( 48.96%) 1192. (0.00000) RY (23) S 25 s( 3.08%)p 2.17( 6.69%)d 6.52( 20.08%) f14.85( 45.76%)g 7.92( 24.40%) 1193. (0.00000) RY (24) S 25 s( 3.66%)p 2.46( 9.00%)d 2.41( 8.82%) f 5.90( 21.64%)g15.52( 56.87%) 1194. (0.00000) RY (25) S 25 s( 9.30%)p 1.61( 14.95%)d 4.38( 40.72%) f 1.22( 11.38%)g 2.54( 23.64%) 1195. (0.00000) RY (26) S 25 s( 0.53%)p34.54( 18.21%)d54.11( 28.53%) f47.38( 24.98%)g52.63( 27.75%) 1196. (0.00000) RY (27) S 25 s( 4.24%)p 1.65( 6.98%)d 7.70( 32.64%) f 9.15( 38.77%)g 4.10( 17.38%) 1197. (0.00000) RY (28) S 25 s( 11.49%)p 0.82( 9.45%)d 1.81( 20.84%) f 1.05( 12.11%)g 4.01( 46.11%) 1198. (0.00000) RY (29) S 25 s( 9.67%)p 0.52( 5.01%)d 2.63( 25.41%) f 3.84( 37.10%)g 2.36( 22.82%) 1199. (0.00000) RY (30) S 25 s( 1.99%)p 7.55( 15.02%)d11.73( 23.34%) f25.81( 51.36%)g 4.16( 8.29%) 1200. (0.00000) RY (31) S 25 s( 4.49%)p 2.12( 9.52%)d 3.98( 17.88%) f 8.65( 38.88%)g 6.50( 29.22%) 1201. (0.00000) RY (32) S 25 s( 1.40%)p10.06( 14.05%)d22.02( 30.75%) f29.64( 41.40%)g 8.88( 12.40%) 1202. (0.00000) RY (33) S 25 s( 3.88%)p 6.58( 25.52%)d12.18( 47.23%) f 4.84( 18.78%)g 1.18( 4.59%) 1203. (0.00000) RY (34) S 25 s( 1.52%)p15.91( 24.17%)d26.58( 40.36%) f16.59( 25.20%)g 5.77( 8.76%) 1204. (0.00000) RY (35) S 25 s( 1.49%)p 7.20( 10.76%)d36.99( 55.29%) f19.64( 29.36%)g 2.08( 3.11%) 1205. (0.00000) RY (36) S 25 s( 4.89%)p 3.94( 19.26%)d 9.03( 44.18%) f 4.69( 22.93%)g 1.79( 8.75%) 1206. (0.00000) RY (37) S 25 s( 0.78%)p21.46( 16.73%)d69.70( 54.34%) f31.33( 24.42%)g 4.78( 3.73%) 1207. (0.00000) RY (38) S 25 s( 2.90%)p 3.70( 10.71%)d16.50( 47.79%) f12.63( 36.58%)g 0.70( 2.03%) 1208. (0.00000) RY (39) S 25 s( 0.71%)p27.55( 19.69%)d36.09( 25.79%) f64.58( 46.16%)g10.70( 7.65%) 1209. (0.00001) RY (40) S 25 s( 4.34%)p 6.59( 28.63%)d 6.52( 28.29%) f 8.25( 35.80%)g 0.68( 2.94%) 1210. (0.00001) RY (41) S 25 s( 0.24%)p99.99( 24.94%)d64.93( 15.88%) f99.99( 57.01%)g 7.89( 1.93%) 1211. (0.00000) RY (42) S 25 s( 98.24%)p 0.01( 1.45%)d 0.00( 0.12%) f 0.00( 0.07%)g 0.00( 0.11%) 1212. (0.00000) RY (43) S 25 s( 95.57%)p 0.02( 1.98%)d 0.02( 1.60%) f 0.00( 0.37%)g 0.01( 0.49%) 1213. (0.00000) RY (44) S 25 s( 5.94%)p13.47( 80.08%)d 1.48( 8.81%) f 0.29( 1.74%)g 0.58( 3.42%) 1214. (0.00000) RY (45) S 25 s( 36.80%)p 0.18( 6.46%)d 0.66( 24.37%) f 0.24( 8.73%)g 0.64( 23.64%) 1215. (0.00000) RY (46) S 25 s( 4.41%)p14.71( 64.90%)d 6.06( 26.75%) f 0.39( 1.73%)g 0.50( 2.21%) 1216. (0.00000) RY (47) S 25 s( 16.27%)p 1.49( 24.31%)d 0.87( 14.11%) f 0.80( 13.02%)g 1.98( 32.29%) 1217. (0.00000) RY (48) S 25 s( 5.64%)p 2.31( 13.04%)d 7.19( 40.58%) f 0.91( 5.14%)g 6.31( 35.59%) 1218. (0.00000) RY (49) S 25 s( 8.32%)p 0.88( 7.35%)d 6.76( 56.20%) f 0.82( 6.85%)g 2.56( 21.27%) 1219. (0.00000) RY (50) S 25 s( 9.45%)p 7.61( 71.96%)d 1.21( 11.48%) f 0.13( 1.18%)g 0.63( 5.92%) 1220. (0.00000) RY (51) S 25 s( 11.46%)p 0.98( 11.27%)d 2.18( 25.00%) f 1.83( 20.96%)g 2.73( 31.30%) 1221. (0.00000) RY (52) S 25 s( 1.71%)p 6.66( 11.36%)d19.60( 33.45%) f14.44( 24.65%)g16.89( 28.83%) 1222. (0.00000) RY (53) S 25 s( 0.48%)p16.72( 8.11%)d49.80( 24.13%) f80.81( 39.16%)g58.01( 28.11%) 1223. (0.00000) RY (54) S 25 s( 14.38%)p 0.85( 12.25%)d 1.35( 19.37%) f 0.82( 11.77%)g 2.94( 42.23%) 1224. (0.00000) RY (55) S 25 s( 0.47%)p 8.21( 3.88%)d24.85( 11.73%) f99.99( 57.40%)g56.18( 26.52%) 1225. (0.00000) RY (56) S 25 s( 19.05%)p 0.43( 8.19%)d 1.82( 34.66%) f 0.66( 12.63%)g 1.34( 25.48%) 1226. (0.00000) RY (57) S 25 s( 10.93%)p 0.88( 9.57%)d 1.96( 21.43%) f 1.33( 14.53%)g 3.98( 43.54%) 1227. (0.00000) RY (58) S 25 s( 0.31%)p14.78( 4.55%)d40.87( 12.58%) f99.99( 40.83%)g99.99( 41.73%) 1228. (0.00000) RY (59) S 25 s( 1.39%)p 5.72( 7.95%)d13.34( 18.54%) f11.60( 16.11%)g40.32( 56.01%) 1229. (0.00000) RY (60) S 25 s( 7.34%)p 0.42( 3.09%)d 6.03( 44.25%) f 2.25( 16.54%)g 3.92( 28.78%) 1230. (0.00000) RY (61) S 25 s( 9.24%)p 0.69( 6.42%)d 2.49( 23.04%) f 1.78( 16.41%)g 4.86( 44.90%) 1231. (0.01336) RY ( 1)Mo 26 s( 14.48%)p 1.53( 22.18%)d 4.22( 61.14%) f 0.09( 1.32%)g 0.06( 0.88%) 0.0000 -0.0444 0.3725 0.0331 0.0542 0.0021 0.0033 0.0000 -0.4196 -0.0352 -0.0680 -0.0469 0.0000 0.1044 0.0466 -0.0167 0.0147 0.0000 0.0030 0.1492 0.0352 0.0242 0.0005 0.0583 0.0975 0.0115 -0.0159 0.0104 0.0157 0.0483 0.0475 -0.1150 -0.0466 -0.0010 0.0057 -0.5103 0.2463 -0.0216 -0.0836 0.4883 -0.1036 -0.0026 0.0579 -0.0007 0.0061 -0.0104 -0.0065 -0.0080 -0.0518 0.0624 -0.0070 0.0141 0.0148 -0.0018 -0.0094 0.0127 0.0043 0.0045 0.0283 -0.0032 0.0249 0.0278 -0.0099 0.0190 -0.0230 -0.0433 -0.0159 -0.0090 0.0243 0.0150 0.0021 0.0090 -0.0004 -0.0319 -0.0026 -0.0309 -0.0077 0.0514 0.0059 -0.0092 0.0028 1232. (0.00993) RY ( 2)Mo 26 s( 10.96%)p 0.82( 9.02%)d 6.79( 74.45%) f 0.41( 4.45%)g 0.10( 1.11%) 0.0000 0.0275 0.3266 0.0226 -0.0394 -0.0125 0.0008 0.0000 -0.1239 0.1819 -0.0812 0.0224 0.0000 -0.0890 -0.0230 -0.0080 -0.0043 0.0000 0.1146 -0.0995 0.0451 -0.0330 0.0049 -0.2195 -0.0471 -0.0127 0.0131 0.6224 -0.0245 0.0071 -0.0027 0.2474 0.0548 0.0107 -0.0422 -0.2076 0.0465 0.0075 0.0497 -0.4225 -0.1143 -0.0163 -0.1329 -0.0799 -0.0025 -0.0630 -0.0190 0.0083 0.0655 0.0078 0.0022 0.0325 0.0148 0.0047 0.0544 0.0054 -0.0043 -0.0757 -0.0175 0.0028 -0.0306 -0.0199 0.0048 -0.0242 0.0280 0.0418 -0.0035 0.0151 -0.0258 -0.0118 -0.0042 -0.0262 0.0144 0.0427 -0.0128 0.0268 0.0035 -0.0575 0.0027 -0.0043 0.0038 1233. (0.00917) RY ( 3)Mo 26 s( 4.71%)p 1.72( 8.09%)d17.92( 84.41%) f 0.50( 2.36%)g 0.09( 0.43%) 0.0000 0.0870 -0.1112 0.1456 -0.0762 -0.0120 0.0008 0.0000 -0.0668 0.1566 0.0002 0.0275 0.0000 -0.1486 -0.1132 -0.0194 -0.0294 0.0000 -0.1076 -0.0548 0.0211 0.0022 0.0065 -0.2930 -0.0929 -0.0273 0.0454 -0.6070 -0.0317 0.0030 -0.0250 0.3446 0.0946 0.0104 -0.0457 -0.4465 0.0123 0.0085 0.0307 -0.1929 -0.0952 0.0002 -0.0111 -0.0403 -0.0029 0.0897 0.0113 0.0061 -0.0039 -0.0515 0.0105 -0.0108 0.0002 0.0128 -0.0012 0.0024 -0.0015 -0.0438 -0.0210 0.0001 -0.0777 -0.0451 0.0115 -0.0073 0.0092 0.0018 0.0214 -0.0266 -0.0218 -0.0223 0.0047 0.0258 0.0048 0.0250 0.0070 0.0133 0.0090 -0.0172 -0.0018 0.0086 0.0005 1234. (0.00869) RY ( 4)Mo 26 s( 0.74%)p 2.40( 1.79%)d99.99( 94.75%) f 3.04( 2.26%)g 0.61( 0.46%) 0.0000 0.0351 -0.0345 0.0520 -0.0475 -0.0074 0.0005 0.0000 -0.0167 0.0971 -0.0008 0.0212 0.0000 -0.0046 -0.0032 0.0679 0.0005 0.0000 -0.0252 -0.0412 0.0274 0.0000 -0.0259 0.8644 -0.1774 -0.0200 0.0075 -0.0332 -0.0451 -0.0027 -0.0057 -0.0426 0.0116 -0.0077 -0.0277 -0.2673 -0.0294 0.0039 0.0302 -0.2891 -0.0702 -0.0057 0.0071 -0.0408 -0.0117 0.0352 -0.0142 0.0023 0.0453 -0.0508 -0.0100 0.0437 -0.0042 0.0002 -0.0027 -0.0598 -0.0051 -0.0340 -0.0304 -0.0010 0.0811 -0.0189 0.0069 0.0204 0.0155 0.0053 0.0051 0.0200 -0.0082 0.0106 0.0016 -0.0047 -0.0074 0.0287 -0.0083 0.0224 -0.0040 -0.0166 -0.0037 0.0359 -0.0142 1235. (0.00520) RY ( 5)Mo 26 s( 46.61%)p 0.33( 15.58%)d 0.70( 32.47%) f 0.05( 2.27%)g 0.07( 3.07%) 0.0000 -0.0411 0.6772 -0.0650 -0.0392 0.0069 -0.0051 0.0000 0.0283 0.3728 -0.0251 0.0460 0.0000 0.0203 0.0254 -0.0017 -0.0006 0.0000 -0.0464 -0.0998 -0.0123 -0.0006 -0.0060 0.0501 0.0624 0.0033 0.0084 -0.3430 -0.1958 -0.0130 -0.0396 -0.0965 0.0324 -0.0177 0.0207 0.3652 -0.0418 0.0713 0.0467 -0.0479 -0.0681 0.0022 0.0979 -0.0062 -0.0010 -0.0001 0.0246 -0.0005 -0.0602 0.0151 -0.0004 0.0086 -0.0031 0.0014 0.0072 -0.0210 0.0048 -0.0749 0.0469 -0.0105 -0.0086 0.0051 -0.0013 0.0228 0.0165 0.0539 0.0171 0.0193 -0.0129 -0.0505 -0.0026 -0.0387 -0.0056 0.0289 -0.0068 0.0640 -0.0001 -0.1297 0.0022 -0.0145 0.0045 1236. (0.00428) RY ( 6)Mo 26 s( 6.55%)p 5.23( 34.31%)d 7.49( 49.11%) f 1.22( 7.98%)g 0.31( 2.05%) 0.0000 0.0305 0.0117 0.2527 0.0252 0.0004 -0.0025 0.0000 -0.0605 0.0927 -0.0312 -0.0262 0.0000 -0.4735 -0.2923 0.0546 -0.0481 0.0000 -0.1124 -0.0228 0.0281 -0.0181 0.0138 0.0432 -0.4711 -0.0753 0.0185 0.1243 -0.1082 -0.0039 -0.0029 0.0270 0.0723 0.0066 0.0278 0.2346 0.2314 0.0179 -0.0198 0.3414 0.0344 -0.0056 -0.0333 -0.0869 0.0030 0.0325 -0.0695 0.0031 0.0261 -0.1477 0.0076 0.0311 -0.1229 0.0193 0.0310 -0.0517 -0.0059 0.1012 -0.0049 -0.0029 -0.0540 -0.0905 0.0351 -0.0381 -0.0077 0.0154 0.0089 -0.0384 -0.0042 -0.0074 0.0017 0.0509 0.0233 0.0557 -0.0004 0.0176 0.0207 0.0446 -0.0011 0.0880 -0.0196 1237. (0.00325) RY ( 7)Mo 26 s( 22.41%)p 1.24( 27.75%)d 1.48( 33.23%) f 0.65( 14.57%)g 0.09( 2.03%) 0.0000 0.0209 -0.1629 0.4438 -0.0113 0.0080 0.0021 0.0000 -0.4331 0.1273 0.0679 0.0019 0.0000 0.2195 0.1148 -0.0110 0.0175 0.0000 -0.0132 -0.0737 -0.0314 -0.0263 -0.0033 0.0020 0.1622 0.0247 -0.0135 -0.0561 0.0332 -0.0221 -0.0106 -0.0562 -0.0766 -0.0175 0.0262 0.2973 0.3489 0.0242 0.0264 -0.2304 -0.1578 0.0322 -0.1548 0.0657 -0.0106 0.0897 -0.0095 0.0069 0.0761 0.0306 -0.0005 0.0345 -0.0017 -0.0026 -0.1395 0.0243 0.0015 0.2822 0.0102 -0.0090 -0.0021 0.0354 -0.0110 -0.0150 0.0220 -0.0010 -0.0043 0.0535 -0.0092 -0.0178 -0.0135 -0.0132 -0.0015 -0.0270 -0.0062 -0.0368 0.0068 0.1108 -0.0232 -0.0302 0.0089 1238. (0.00288) RY ( 8)Mo 26 s( 0.08%)p99.99( 18.32%)d99.99( 71.77%) f99.99( 8.96%)g11.36( 0.87%) 0.0000 -0.0018 0.0210 -0.0179 -0.0005 -0.0003 0.0002 0.0000 -0.0052 -0.0080 0.0015 0.0017 0.0000 0.4164 0.0461 0.0344 0.0046 0.0000 0.0723 -0.0343 0.0007 0.0021 0.0024 0.1359 -0.1435 0.0114 -0.0029 0.0169 -0.0398 -0.0044 -0.0106 0.7483 -0.1007 -0.0254 -0.0039 0.1730 -0.0425 -0.0033 -0.0004 0.2688 -0.0414 -0.0066 -0.0679 0.0039 -0.0018 0.0518 -0.0030 -0.0075 -0.1162 -0.0007 -0.0006 -0.0092 -0.0142 -0.0016 0.1550 -0.0189 -0.0162 0.0342 -0.0011 -0.0059 0.1901 -0.0800 0.0056 -0.0366 0.0051 -0.0208 -0.0040 -0.0324 -0.0013 -0.0268 0.0050 -0.0620 0.0012 -0.0172 -0.0079 -0.0059 0.0126 -0.0081 0.0039 0.0120 -0.0209 1239. (0.00189) RY ( 9)Mo 26 s( 27.69%)p 1.85( 51.28%)d 0.45( 12.49%) f 0.25( 6.87%)g 0.06( 1.67%) 0.0000 -0.0097 -0.0818 0.5170 -0.0349 -0.0385 -0.0081 0.0000 0.5464 0.3099 -0.2219 -0.0407 0.0000 0.2331 0.0536 -0.0222 -0.0069 0.0000 0.0197 -0.0642 0.0706 -0.0090 -0.0017 -0.0305 0.1073 -0.0102 -0.0069 0.0829 -0.0460 0.0551 0.0057 -0.1273 -0.0781 0.0325 -0.0069 -0.1504 0.0815 0.0199 -0.0113 0.2075 -0.0201 -0.0598 -0.0831 -0.0275 -0.0226 -0.0068 -0.1179 0.0162 0.0492 0.0156 -0.0035 0.0390 0.0143 0.0153 0.0273 0.0570 -0.0084 -0.1924 -0.0051 0.0051 -0.0220 -0.0016 -0.0065 0.0105 0.0146 0.0111 -0.0054 -0.0024 -0.0206 0.0418 0.0039 -0.0350 0.0102 0.0485 -0.0069 -0.0007 -0.0056 -0.0922 0.0042 -0.0417 0.0073 1240. (0.00144) RY (10)Mo 26 s( 0.85%)p38.64( 32.89%)d56.56( 48.15%) f16.41( 13.97%)g 4.87( 4.14%) 0.0000 -0.0015 0.0005 0.0917 0.0023 -0.0100 -0.0001 0.0000 0.0037 -0.0553 -0.0388 -0.0153 0.0000 -0.4126 0.2430 0.0095 0.0494 0.0000 -0.2032 -0.2234 -0.0323 0.0065 -0.0028 0.1844 0.5188 0.0029 -0.0141 0.0438 0.0609 -0.0340 0.0088 0.2456 0.2686 -0.0358 -0.0015 0.0317 0.0526 -0.0082 0.0069 0.1263 0.1320 -0.0138 -0.0016 0.0519 0.0001 0.0971 -0.0081 -0.0063 0.0855 0.0095 0.0226 -0.0983 0.0937 -0.0090 0.2779 -0.0031 -0.0068 -0.0054 0.0261 -0.0068 -0.0591 0.1343 -0.0379 -0.1136 0.0294 -0.0033 -0.0387 -0.0690 -0.0024 -0.0273 -0.0100 -0.1182 -0.0093 -0.0231 -0.0137 0.0240 -0.0039 0.0017 0.0007 -0.0704 0.0149 1241. (0.00120) RY (11)Mo 26 s( 0.36%)p99.99( 62.22%)d42.62( 15.20%) f46.57( 16.61%)g15.73( 5.61%) 0.0000 0.0097 0.0308 0.0425 0.0245 -0.0108 0.0012 0.0000 -0.1384 -0.2485 -0.0329 -0.0355 0.0000 0.1313 0.0921 0.0118 -0.0044 0.0000 -0.2588 -0.6599 -0.1019 -0.0124 0.0096 -0.0882 -0.2210 0.0423 -0.0227 0.0079 -0.1482 -0.0955 0.0088 -0.1391 -0.1375 0.0074 -0.0033 -0.0766 -0.0866 0.0046 0.0065 0.0456 0.0884 0.0104 -0.0343 0.0826 -0.0201 -0.0346 0.0083 -0.0094 0.0839 -0.0717 0.0147 -0.2423 0.0957 -0.0136 -0.0876 -0.0211 0.0149 -0.2009 0.0723 -0.0073 0.1300 -0.0691 0.0160 -0.0606 0.0518 0.1097 -0.0611 0.0981 -0.0251 0.0666 -0.0345 -0.0519 0.0433 0.1116 -0.0138 -0.0267 0.0090 0.0043 0.0078 0.0029 0.0011 1242. (0.00094) RY (12)Mo 26 s( 0.38%)p66.78( 25.17%)d46.34( 17.46%) f99.99( 55.43%)g 4.13( 1.56%) 0.0000 -0.0080 -0.0177 0.0579 -0.0056 -0.0016 -0.0007 0.0000 0.0637 0.0591 -0.0209 -0.0023 0.0000 -0.4058 0.2265 -0.0589 0.1024 0.0000 -0.0562 0.1013 -0.0016 0.0192 -0.0204 0.0003 -0.1119 0.1796 -0.0074 -0.0055 -0.0243 0.0564 -0.0036 0.1029 -0.2620 -0.1468 -0.0020 0.0164 -0.0443 -0.0320 -0.0010 0.0175 -0.1318 -0.0619 -0.1473 0.2410 0.0143 -0.1064 -0.0160 0.0073 -0.2263 0.4181 0.0196 0.0243 0.1742 0.0021 -0.3052 -0.0140 0.0116 -0.0569 -0.0161 0.0037 0.3201 0.0703 -0.0312 0.0678 0.0162 -0.0001 -0.0216 0.0589 0.0255 0.0262 0.0128 0.0145 -0.0533 -0.0086 -0.0194 -0.0239 -0.0147 -0.0114 -0.0038 -0.0278 0.0092 1243. (0.00079) RY (13)Mo 26 s( 2.53%)p23.82( 60.29%)d 7.37( 18.66%) f 6.18( 15.65%)g 1.14( 2.88%) 0.0000 0.0073 0.1350 -0.0787 -0.0162 0.0234 0.0041 0.0000 0.2054 -0.1885 -0.0990 0.0120 0.0000 0.1415 -0.0068 -0.0353 -0.0117 0.0000 -0.6745 0.0167 0.1888 0.0530 0.0016 -0.0114 -0.0421 -0.0095 -0.0034 0.0347 0.1510 0.0412 0.0041 -0.0008 0.1399 -0.0105 -0.0050 0.0174 -0.0178 -0.0727 -0.0044 -0.0207 -0.3536 0.0879 -0.2013 -0.0441 0.0112 -0.1068 0.0376 -0.0026 0.0662 0.0258 -0.0045 0.1645 -0.0245 -0.0068 -0.0297 0.0270 -0.0030 0.2268 -0.1133 0.0109 -0.0471 0.0043 0.0033 0.0902 -0.0018 -0.0460 -0.0322 -0.0344 0.0005 -0.0602 0.0013 0.0621 0.0228 -0.0724 -0.0089 0.0131 0.0006 0.0437 -0.0053 0.0295 0.0021 1244. (0.00069) RY (14)Mo 26 s( 8.75%)p 5.82( 50.93%)d 1.73( 15.11%) f 2.46( 21.52%)g 0.42( 3.68%) 0.0000 0.0160 0.2225 0.1524 -0.1122 0.0433 0.0073 0.0000 0.2928 -0.4573 -0.2352 -0.1144 0.0000 -0.0789 -0.0087 0.0336 0.0074 0.0000 0.3556 0.0246 -0.1073 -0.0089 0.0009 0.0147 0.0073 -0.0053 0.0013 -0.0917 -0.1913 0.0176 0.0024 0.0296 0.0687 0.0100 -0.0019 -0.0047 0.1462 -0.1190 0.0009 -0.0937 -0.2154 0.0951 0.0300 -0.0937 0.0175 0.1328 0.2075 -0.0261 0.0430 -0.0323 -0.0065 -0.2008 0.1513 -0.0110 -0.1016 -0.0561 0.0133 0.2446 -0.0130 -0.0123 0.0450 -0.0424 0.0045 -0.0439 -0.0430 0.0722 -0.0354 0.0212 0.0402 0.0086 -0.0042 -0.0294 0.0154 -0.0380 0.0082 -0.0487 -0.0018 0.1363 0.0170 0.0227 -0.0063 1245. (0.00054) RY (15)Mo 26 s( 14.94%)p 0.33( 4.94%)d 3.87( 57.84%) f 1.27( 19.00%)g 0.22( 3.28%) 0.0000 0.0152 0.0361 0.3491 -0.1451 0.0705 0.0034 0.0000 -0.1568 -0.0772 0.0763 -0.0286 0.0000 -0.0212 -0.0301 0.0628 -0.0104 0.0000 0.0242 0.0682 -0.0397 0.0001 0.0006 -0.0094 0.0348 0.0112 -0.0075 0.1005 0.0353 -0.1255 0.0019 -0.0437 0.1666 0.0002 0.0034 0.0190 -0.6560 0.1175 -0.0074 0.1158 -0.2489 -0.0124 -0.0240 -0.0031 0.0057 0.2537 0.1256 0.0106 -0.0632 0.0487 -0.0012 0.0833 -0.1671 -0.0071 -0.0819 -0.0588 -0.0009 -0.1070 0.2046 -0.0289 -0.0577 0.0001 0.0121 -0.0722 -0.0143 -0.0272 0.0065 0.0441 0.0374 0.0410 -0.0427 0.0759 0.0048 -0.1117 -0.0008 0.0011 0.0282 0.0127 0.0014 0.0217 -0.0055 1246. (0.00051) RY (16)Mo 26 s( 0.56%)p34.57( 19.27%)d46.29( 25.81%) f94.65( 52.77%)g 2.87( 1.60%) 0.0000 0.0000 0.0086 0.0685 -0.0283 0.0003 -0.0012 0.0000 -0.0031 -0.0083 -0.0126 -0.0036 0.0000 0.1424 -0.0436 -0.3963 0.0514 0.0000 0.0266 0.0063 -0.0985 0.0115 0.0085 -0.0814 -0.1669 0.0860 0.0000 0.0008 -0.0520 -0.0231 -0.0072 -0.0361 0.3925 -0.1717 -0.0016 -0.0174 0.0156 -0.0312 -0.0034 -0.0100 0.1512 -0.0583 0.1957 0.0937 0.0145 0.0626 -0.0442 0.0217 0.2755 0.1185 0.0140 0.2732 0.0629 -0.0150 0.0936 -0.3175 0.0376 0.0380 -0.0681 0.0060 0.3353 0.2680 -0.0613 0.0080 0.0106 0.0002 -0.0130 0.0229 0.0222 0.0157 -0.0174 0.0286 -0.0347 0.0206 0.0028 0.0191 -0.0401 0.0111 -0.0105 0.0851 0.0467 1247. (0.00046) RY (17)Mo 26 s( 1.99%)p 1.86( 3.70%)d16.88( 33.60%) f29.14( 58.02%)g 1.35( 2.70%) 0.0000 -0.0068 0.0103 0.1210 -0.0713 -0.0017 -0.0058 0.0000 0.0223 -0.0655 -0.1109 0.0182 0.0000 0.0069 -0.0026 0.0479 -0.0239 0.0000 -0.1112 -0.0076 -0.0470 0.0446 -0.0028 0.0013 0.0903 0.0466 0.0052 0.0593 -0.2854 -0.2762 -0.0026 0.0564 -0.1957 -0.0170 -0.0023 -0.0818 0.0646 -0.0713 0.0024 -0.0598 0.3087 0.0881 0.0803 0.2129 0.0432 -0.1433 0.4667 0.0484 -0.2329 -0.0660 -0.0068 0.3581 -0.2103 -0.0472 0.0143 -0.1265 -0.0192 0.0412 -0.1019 -0.0105 -0.1515 0.0209 0.0193 0.0243 0.0032 -0.0827 0.0215 0.0370 -0.0058 -0.0978 -0.0053 0.0584 -0.0230 -0.0098 0.0336 0.0403 0.0004 -0.0004 0.0277 -0.0165 -0.0147 1248. (0.00040) RY (18)Mo 26 s( 0.09%)p99.99( 16.31%)d99.99( 33.27%) f99.99( 38.70%)g99.99( 11.64%) 0.0000 -0.0029 -0.0166 0.0244 -0.0038 -0.0010 -0.0002 0.0000 -0.0028 0.0340 0.0042 0.0102 0.0000 0.0626 0.3668 -0.0173 0.1122 0.0000 0.0055 0.0976 0.0027 0.0289 -0.0096 -0.0323 -0.3037 0.1180 -0.0024 -0.0037 -0.0792 0.0165 0.0072 -0.0664 0.3650 0.2138 0.0018 -0.0171 0.0561 0.0548 0.0033 -0.0283 0.1470 0.0813 -0.1804 -0.0769 -0.0032 -0.0002 0.1263 0.0114 -0.3153 -0.1334 -0.0057 -0.0910 0.0046 -0.0118 0.0102 0.3294 0.0178 -0.0086 0.0961 0.0049 -0.0326 0.2935 -0.0354 0.0372 0.0179 -0.1173 -0.0029 0.0376 0.0223 0.0356 -0.0114 -0.2215 -0.0170 -0.0488 -0.0178 0.0625 -0.0545 0.0194 -0.0182 0.1912 -0.0379 1249. (0.00030) RY (19)Mo 26 s( 2.61%)p 8.71( 22.77%)d13.03( 34.06%) f13.67( 35.73%)g 1.85( 4.83%) 0.0000 0.0014 0.0380 0.1179 -0.0949 0.0355 -0.0230 0.0000 -0.1433 -0.1055 -0.2386 0.0482 0.0000 0.0422 -0.0227 -0.0551 -0.0165 0.0000 -0.2025 0.1982 0.2245 0.0213 -0.0022 0.0059 0.0179 -0.0386 0.0042 -0.0148 -0.0661 0.1585 -0.0040 0.0263 -0.1498 0.0680 0.0053 0.0613 -0.1142 0.0609 0.0058 -0.0806 0.4351 -0.2546 -0.0157 -0.4803 -0.0563 0.0964 0.0778 -0.0161 0.0370 0.2029 0.0174 -0.1200 0.1916 0.0294 -0.0551 -0.0704 -0.0061 0.0493 0.0101 0.0331 0.0125 -0.0278 -0.0135 -0.0944 0.0322 -0.0702 0.0700 0.1289 -0.0255 -0.0552 -0.0140 0.0282 -0.0273 0.0247 -0.0149 0.0511 0.0110 -0.0522 -0.0047 -0.0121 0.0061 1250. (0.00024) RY (20)Mo 26 s( 3.06%)p 3.44( 10.52%)d 2.70( 8.26%) f21.73( 66.48%)g 3.82( 11.68%) 0.0000 -0.0067 -0.0085 0.1223 0.1165 -0.0430 0.0095 0.0000 -0.0475 -0.0657 -0.0303 -0.0298 0.0000 -0.0031 -0.2234 0.0911 0.1755 0.0000 -0.0710 0.0241 0.0149 0.0439 0.0098 -0.0007 0.0393 0.0192 0.0011 -0.0163 -0.0740 0.0672 -0.0009 -0.0134 0.0683 0.1819 0.0009 0.0477 0.0353 -0.0509 0.0124 -0.1061 0.0142 0.1212 0.2553 0.0047 0.0300 -0.0738 0.0735 -0.0043 0.1014 0.3241 0.0435 0.0308 -0.2112 0.0174 0.1705 0.4733 0.0099 -0.1960 -0.0865 0.0355 0.3065 -0.1593 0.0711 -0.1214 0.0050 0.1099 -0.0549 0.0041 0.0367 -0.0989 -0.0062 -0.0397 -0.0280 -0.2284 0.0392 -0.0931 -0.0500 0.0658 0.0056 0.0533 -0.0367 1251. (0.00022) RY (21)Mo 26 s( 2.23%)p 3.57( 7.94%)d 5.19( 11.56%) f28.22( 62.87%)g 6.91( 15.40%) 0.0000 -0.0050 -0.0476 0.0664 0.1190 -0.0355 0.0132 0.0000 -0.0331 -0.0748 0.0604 -0.0546 0.0000 0.0211 0.1521 -0.0526 -0.1479 0.0000 -0.0860 0.0877 -0.0330 -0.0415 -0.0068 -0.0062 0.0226 -0.0346 -0.0038 0.0154 -0.2010 0.0761 -0.0057 0.0468 -0.0463 -0.1362 -0.0016 0.0519 0.0190 -0.1250 0.0079 -0.0549 -0.1503 0.0088 0.1574 -0.2307 -0.0219 -0.0773 -0.2175 -0.0190 -0.2049 0.0363 -0.0296 -0.1936 -0.3041 -0.0513 0.0305 -0.2079 -0.0148 -0.2482 -0.3249 0.0266 -0.1652 0.2775 -0.0567 -0.0365 -0.0203 0.2410 -0.0445 0.1392 -0.0137 0.0621 -0.0007 0.0369 0.0194 -0.1198 0.0843 0.0867 0.0278 0.1793 0.0371 0.0602 -0.0120 1252. (0.00019) RY (22)Mo 26 s( 12.25%)p 1.28( 15.63%)d 1.66( 20.33%) f 3.02( 37.02%)g 1.20( 14.76%) 0.0000 -0.0010 0.1458 0.2569 0.1863 -0.0207 0.0108 0.0000 -0.1392 -0.0703 -0.3209 -0.0129 0.0000 -0.0164 -0.0056 -0.0214 -0.0529 0.0000 0.0954 0.1208 -0.0040 0.0399 -0.0026 0.0319 -0.0634 0.0033 0.0074 -0.1280 0.2490 0.0006 -0.0049 0.0344 -0.0396 -0.0485 0.0009 0.0836 -0.2138 -0.1259 0.0102 -0.1048 0.1643 0.0896 -0.1339 0.2307 0.0099 -0.3904 -0.0903 -0.0221 0.1300 -0.1823 -0.0078 -0.2329 0.0052 -0.0245 0.1425 -0.0170 -0.0016 -0.0568 -0.0728 0.0266 -0.0062 0.0542 -0.0096 0.1263 -0.0868 -0.1796 -0.0232 -0.1290 0.0660 0.0993 0.0212 0.1766 0.0208 -0.1435 0.0075 0.0004 0.0012 -0.0526 0.0143 0.0694 -0.0006 1253. (0.00014) RY (23)Mo 26 s( 1.89%)p 2.50( 4.72%)d18.88( 35.63%) f21.93( 41.37%)g 8.69( 16.39%) 0.0000 0.0034 0.1018 -0.0319 -0.0864 0.0006 0.0014 0.0000 0.1094 -0.0525 -0.0643 -0.0812 0.0000 -0.0048 0.0540 0.0435 0.0084 0.0000 -0.0252 -0.0139 -0.1259 0.0141 -0.0013 0.0082 -0.1001 0.0004 -0.0001 -0.0919 0.4812 -0.0757 -0.0033 0.0290 -0.1088 -0.0372 0.0006 0.0001 0.2390 0.0469 0.0096 -0.0866 0.1328 0.0425 -0.0792 -0.1571 0.0445 -0.0365 0.0552 0.0252 -0.0216 0.1546 -0.0342 0.1142 -0.2766 -0.0171 0.0402 -0.1829 0.0221 -0.1039 0.4454 -0.1157 -0.0140 0.0455 -0.0048 -0.1632 -0.0618 0.2383 -0.0193 0.0353 0.0157 0.2022 0.0449 -0.0479 -0.0055 -0.1396 0.0337 -0.0637 -0.0100 0.0149 -0.0424 0.0522 -0.0049 1254. (0.00012) RY (24)Mo 26 s( 0.09%)p99.99( 35.10%)d81.48( 7.46%) f99.99( 48.73%)g93.99( 8.61%) 0.0000 0.0013 0.0067 -0.0050 0.0219 -0.0190 -0.0019 0.0000 -0.0005 0.0210 -0.0433 0.0517 0.0000 -0.1090 0.4520 0.2388 0.2381 0.0000 -0.0166 0.0874 0.0784 0.0459 -0.0083 -0.1365 0.0577 -0.0993 -0.0025 -0.0179 -0.0218 0.0023 0.0007 -0.0371 -0.1038 0.1404 -0.0006 -0.0209 -0.0476 0.0355 -0.0007 -0.0174 0.0023 0.0761 0.0934 -0.1306 -0.0480 0.0977 -0.0953 -0.0028 0.1306 -0.3202 -0.0609 0.1617 -0.1799 -0.0435 0.0438 -0.1429 0.0017 0.0735 -0.0649 0.0076 0.4044 -0.2393 -0.0641 0.0938 -0.0243 0.0426 -0.0092 0.0077 -0.0329 0.1045 -0.0310 0.1484 -0.0120 0.0755 0.0041 0.1287 0.0121 0.0487 0.0060 0.1203 0.0170 1255. (0.00009) RY (25)Mo 26 s( 2.68%)p 4.02( 10.78%)d 5.75( 15.44%) f16.68( 44.74%)g 9.83( 26.37%) 1256. (0.00008) RY (26)Mo 26 s( 0.11%)p14.18( 1.60%)d99.99( 30.02%) f99.99( 46.51%)g99.99( 21.76%) 1257. (0.00007) RY (27)Mo 26 s( 8.27%)p 3.91( 32.34%)d 1.45( 12.00%) f 3.01( 24.92%)g 2.72( 22.46%) 1258. (0.00005) RY (28)Mo 26 s( 3.68%)p 3.66( 13.46%)d 5.51( 20.28%) f10.96( 40.32%)g 6.05( 22.26%) 1259. (0.00005) RY (29)Mo 26 s( 1.13%)p22.61( 25.53%)d12.64( 14.27%) f26.49( 29.90%)g25.84( 29.17%) 1260. (0.00004) RY (30)Mo 26 s( 0.23%)p29.74( 6.84%)d72.04( 16.57%) f99.99( 27.13%)g99.99( 49.23%) 1261. (0.00003) RY (31)Mo 26 s( 5.44%)p 0.84( 4.58%)d 3.68( 20.04%) f 6.71( 36.53%)g 6.14( 33.41%) 1262. (0.00003) RY (32)Mo 26 s( 0.02%)p38.00( 0.83%)d99.99( 16.21%) f99.99( 40.11%)g99.99( 42.83%) 1263. (0.00002) RY (33)Mo 26 s( 2.61%)p 7.82( 20.38%)d 6.03( 15.72%) f10.45( 27.23%)g13.07( 34.06%) 1264. (0.00002) RY (34)Mo 26 s( 13.42%)p 1.09( 14.61%)d 0.93( 12.53%) f 1.91( 25.56%)g 2.52( 33.88%) 1265. (0.00002) RY (35)Mo 26 s( 5.22%)p 0.83( 4.33%)d 1.32( 6.91%) f 5.65( 29.49%)g10.35( 54.05%) 1266. (0.00001) RY (36)Mo 26 s( 12.22%)p 0.83( 10.10%)d 0.52( 6.33%) f 1.63( 19.88%)g 4.21( 51.47%) 1267. (0.00001) RY (37)Mo 26 s( 0.06%)p99.99( 15.75%)d99.99( 9.18%) f99.99( 52.42%)g99.99( 22.58%) 1268. (0.00001) RY (38)Mo 26 s( 0.91%)p45.61( 41.50%)d13.66( 12.43%) f29.05( 26.43%)g20.59( 18.74%) 1269. (0.00000) RY (39)Mo 26 s( 4.99%)p 1.77( 8.83%)d11.54( 57.59%) f 1.62( 8.07%)g 4.11( 20.53%) 1270. (0.00000) RY (40)Mo 26 s( 0.08%)p99.99( 22.91%)d99.99( 11.45%) f99.99( 21.95%)g99.99( 43.61%) 1271. (0.00000) RY (41)Mo 26 s( 2.99%)p 2.46( 7.37%)d 4.60( 13.77%) f11.15( 33.37%)g14.20( 42.50%) 1272. (0.00000) RY (42)Mo 26 s( 6.30%)p 2.16( 13.59%)d 1.34( 8.42%) f 5.25( 33.07%)g 6.12( 38.61%) 1273. (0.00000) RY (43)Mo 26 s( 3.87%)p 3.46( 13.38%)d 3.44( 13.32%) f 6.59( 25.51%)g11.35( 43.92%) 1274. (0.00000) RY (44)Mo 26 s( 0.05%)p27.95( 1.40%)d76.23( 3.81%) f99.99( 19.28%)g99.99( 75.46%) 1275. (0.00000) RY (45)Mo 26 s( 3.80%)p 1.55( 5.90%)d 2.08( 7.92%) f11.05( 42.05%)g10.60( 40.33%) 1276. (0.00000) RY (46)Mo 26 s( 11.39%)p 1.39( 15.84%)d 0.43( 4.91%) f 3.34( 38.05%)g 2.62( 29.81%) 1277. (0.00000) RY (47)Mo 26 s( 3.87%)p 1.59( 6.14%)d 1.10( 4.27%) f11.86( 45.86%)g10.31( 39.87%) 1278. (0.00000) RY (48)Mo 26 s( 0.21%)p93.82( 19.57%)d35.48( 7.40%) f99.99( 25.63%)g99.99( 47.20%) 1279. (0.00000) RY (49)Mo 26 s( 13.12%)p 0.45( 5.86%)d 1.03( 13.46%) f 3.65( 47.88%)g 1.50( 19.68%) 1280. (0.00000) RY (50)Mo 26 s( 8.03%)p 2.30( 18.47%)d 1.71( 13.75%) f 3.07( 24.62%)g 4.38( 35.13%) 1281. (0.00000) RY (51)Mo 26 s( 0.09%)p99.99( 44.11%)d99.99( 11.79%) f99.99( 9.69%)g99.99( 34.32%) 1282. (0.00000) RY (52)Mo 26 s( 15.25%)p 2.33( 35.57%)d 0.76( 11.51%) f 1.09( 16.63%)g 1.38( 21.04%) 1283. (0.00000) RY (53)Mo 26 s( 28.11%)p 0.74( 20.77%)d 0.32( 9.12%) f 0.54( 15.21%)g 0.95( 26.78%) 1284. (0.00000) RY (54)Mo 26 s( 0.91%)p24.79( 22.63%)d15.03( 13.72%) f42.51( 38.80%)g26.23( 23.94%) 1285. (0.00000) RY (55)Mo 26 s( 2.89%)p 4.25( 12.30%)d 2.22( 6.42%) f 8.32( 24.06%)g18.78( 54.33%) 1286. (0.00000) RY (56)Mo 26 s( 0.02%)p99.99( 8.39%)d99.99( 3.87%) f99.99( 44.04%)g99.99( 43.67%) 1287. (0.00000) RY (57)Mo 26 s( 10.45%)p 0.90( 9.40%)d 0.50( 5.23%) f 4.80( 50.20%)g 2.37( 24.72%) 1288. (0.00000) RY (58)Mo 26 s( 0.28%)p41.10( 11.37%)d61.34( 16.96%) f99.99( 35.16%)g99.99( 36.23%) 1289. (0.00000) RY (59)Mo 26 s( 31.00%)p 0.13( 4.10%)d 0.11( 3.47%) f 1.15( 35.52%)g 0.84( 25.90%) 1290. (0.00000) RY (60)Mo 26 s( 2.22%)p 8.48( 18.82%)d 5.01( 11.12%) f11.28( 25.03%)g19.29( 42.80%) 1291. (0.00000) RY (61)Mo 26 s( 7.55%)p 2.33( 17.60%)d 0.57( 4.34%) f 4.83( 36.47%)g 4.50( 34.03%) 1292. (0.00000) RY (62)Mo 26 s( 20.35%)p 1.30( 26.54%)d 0.33( 6.68%) f 1.39( 28.34%)g 0.89( 18.10%) 1293. (0.00000) RY (63)Mo 26 s( 1.52%)p13.53( 20.55%)d17.30( 26.27%) f15.17( 23.04%)g18.84( 28.61%) 1294. (0.00000) RY (64)Mo 26 s( 0.29%)p20.12( 5.81%)d87.62( 25.31%) f99.99( 37.07%)g99.99( 31.53%) 1295. (0.00000) RY (65)Mo 26 s( 2.78%)p 2.56( 7.11%)d 8.05( 22.41%) f17.38( 48.38%)g 6.94( 19.32%) 1296. (0.00000) RY (66)Mo 26 s( 1.36%)p 1.45( 1.97%)d19.82( 26.93%) f24.42( 33.18%)g26.90( 36.56%) 1297. (0.00000) RY (67)Mo 26 s( 7.78%)p 2.00( 15.55%)d 2.01( 15.64%) f 2.35( 18.31%)g 5.49( 42.72%) 1298. (0.00000) RY (68)Mo 26 s( 51.50%)p 0.11( 5.86%)d 0.06( 3.10%) f 0.31( 15.91%)g 0.46( 23.63%) 1299. (0.00000) RY (69)Mo 26 s( 13.36%)p 0.21( 2.75%)d 0.46( 6.20%) f 2.21( 29.56%)g 3.60( 48.13%) 1300. (0.00000) RY (70)Mo 26 s( 0.23%)p 4.47( 1.03%)d 4.45( 1.03%) f61.18( 14.16%)g99.99( 83.55%) 1301. (0.00000) RY (71)Mo 26 s( 1.82%)p 2.51( 4.58%)d 2.59( 4.73%) f26.99( 49.22%)g21.74( 39.65%) NHO DIRECTIONALITY AND BOND BENDING (deviation from line of nuclear centers at the position of maximum hybrid amplitude) [Thresholds for printing: angular deviation > 1.0 degree] p- or d-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev =============================================================================== 40. LP ( 1) C 4 -- -- 161.3 78.6 -- -- -- -- 41. LP ( 1) S 21 -- -- 126.5 101.3 -- -- -- -- 42. LP ( 2) S 21 -- -- 24.5 124.3 -- -- -- -- 43. LP ( 1) S 22 -- -- 14.9 10.7 -- -- -- -- 44. LP ( 2) S 22 -- -- 121.7 63.0 -- -- -- -- 46. LP ( 2) S 23 -- -- 49.4 349.2 -- -- -- -- 47. LP ( 1) S 24 -- -- 29.3 298.8 -- -- -- -- 48. LP ( 2) S 24 -- -- 140.9 308.6 -- -- -- -- 49. LP ( 1) S 25 -- -- 149.2 252.2 -- -- -- -- 50. LP ( 2) S 25 -- -- 46.8 250.8 -- -- -- -- 51. LP ( 1)Mo 26 -- -- 102.7 269.7 -- -- -- -- 52. BD ( 1) C 1- C 2 105.4 231.1 90.6 223.2 16.7 58.8 59.7 17.6 53. BD ( 1) C 1- C 5 83.5 336.6 68.4 340.7 15.6 81.6 153.1 15.3 54. BD ( 1) C 1- H 11 80.9 105.1 78.7 105.9 2.3 -- -- -- 55. BD ( 1) C 2- C 3 94.6 302.9 81.5 291.7 17.2 73.8 134.5 16.3 56. BD ( 1) C 2- H 12 98.5 175.9 96.6 176.3 1.9 -- -- -- 57. BD ( 1) C 3- C 4 75.1 14.1 63.3 3.4 15.5 92.7 203.1 15.1 58. BD ( 1) C 3- H 13 104.8 249.8 102.7 249.3 2.2 -- -- -- 59. BD ( 1) C 4- C 5 78.0 87.5 63.4 83.6 15.0 87.4 271.0 15.1 60. BD ( 1) C 4- H 14 90.2 321.7 88.1 320.7 2.4 -- -- -- 61. BD ( 1) C 5- H 15 76.2 30.8 73.7 31.1 2.5 -- -- -- 62. BD ( 1) C 6- C 7 61.7 123.8 78.5 122.5 16.8 134.4 305.8 16.3 63. BD ( 1) C 6- C 10 82.2 239.3 98.8 236.8 16.8 113.9 61.9 16.3 64. BD ( 1) C 6- H 16 120.5 6.7 123.8 7.7 3.4 -- -- -- 65. BD ( 1) C 7- C 8 63.0 207.6 73.9 194.7 16.2 126.9 43.9 16.9 66. BD ( 1) C 7- H 17 88.0 75.0 90.1 76.1 2.4 -- -- -- 67. BD ( 1) C 8- C 9 102.0 269.5 107.2 255.7 14.3 83.8 102.7 14.3 68. BD ( 1) C 8- H 18 53.2 143.5 55.0 144.1 1.8 -- -- -- 69. BD ( 1) C 9- C 10 125.9 345.3 141.0 334.3 17.0 69.2 172.3 16.3 70. BD ( 1) C 9- H 19 69.1 225.5 70.6 224.4 1.8 -- -- -- 71. BD ( 1) C 10- H 20 111.4 285.1 113.5 284.0 2.4 -- -- -- 72. BD ( 1) S 21- S 22 68.6 348.2 70.3 345.4 3.2 114.1 172.1 4.5 73. BD ( 1) S 21-Mo 26 86.8 227.5 81.8 239.8 13.2 92.6 38.7 8.8 74. BD ( 1) S 22- S 23 127.7 303.0 128.7 302.2 1.2 -- -- -- 75. BD ( 1) S 23- S 24 72.7 242.3 -- -- -- 108.0 63.3 1.2 76. BD ( 1) S 24- S 25 115.1 181.5 116.0 176.7 4.4 65.4 4.8 3.0 77. BD ( 1) S 25-Mo 26 69.1 135.7 61.2 125.1 12.5 107.6 324.2 8.6 SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.50 kcal/mol E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 40. LP ( 1) C 4 88. BD*( 1) C 3- C 4 7.47 0.58 0.058 40. LP ( 1) C 4 89. BD*( 1) C 3- H 13 1.91 0.52 0.028 40. LP ( 1) C 4 90. BD*( 1) C 4- C 5 7.73 0.59 0.060 40. LP ( 1) C 4 92. BD*( 1) C 5- H 15 1.20 0.54 0.023 40. LP ( 1) C 4 104. BD*( 1) S 21-Mo 26 2.87 0.17 0.020 40. LP ( 1) C 4 109. 3Cn( 1)C1-C5-Mo26 80.51 0.16 0.102 40. LP ( 1) C 4 110. 3Cn( 1)C2-C3-Mo26 53.37 0.15 0.079 40. LP ( 1) C 4 111. 3Cn( 1)C7-C8-Mo26 51.08 0.35 0.120 40. LP ( 1) C 4 113. 3C*( 1)C2-C3-Mo26 11.70 0.20 0.043 40. LP ( 1) C 4 114. 3C*( 1)C6-C9-C10 0.56 0.18 0.009 40. LP ( 1) C 4 115. 3C*( 1)C7-C8-Mo26 18.62 0.18 0.051 40. LP ( 1) C 4 222. RY ( 3) C 3 1.00 2.12 0.041 40. LP ( 1) C 4 223. RY ( 4) C 3 0.63 2.64 0.036 40. LP ( 1) C 4 224. RY ( 5) C 3 1.92 2.67 0.064 40. LP ( 1) C 4 228. RY ( 9) C 3 1.32 2.73 0.054 40. LP ( 1) C 4 230. RY (11) C 3 0.58 4.00 0.043 40. LP ( 1) C 4 273. RY ( 2) C 4 0.63 1.82 0.030 40. LP ( 1) C 4 277. RY ( 6) C 4 5.46 2.39 0.102 40. LP ( 1) C 4 281. RY (10) C 4 1.48 2.16 0.050 40. LP ( 1) C 4 282. RY (11) C 4 2.06 2.70 0.067 40. LP ( 1) C 4 283. RY (12) C 4 1.23 3.74 0.061 40. LP ( 1) C 4 284. RY (13) C 4 0.58 4.25 0.044 40. LP ( 1) C 4 286. RY (15) C 4 0.55 3.94 0.041 40. LP ( 1) C 4 287. RY (16) C 4 0.95 4.34 0.057 40. LP ( 1) C 4 326. RY ( 3) C 5 2.10 2.52 0.065 40. LP ( 1) C 4 327. RY ( 4) C 5 1.20 2.45 0.048 40. LP ( 1) C 4 329. RY ( 6) C 5 1.77 2.27 0.057 40. LP ( 1) C 4 331. RY ( 8) C 5 0.60 3.17 0.039 40. LP ( 1) C 4 341. RY (18) C 5 0.61 4.52 0.047 40. LP ( 1) C 4 378. RY ( 3) C 6 1.37 2.68 0.054 40. LP ( 1) C 4 723. RY ( 1) H 14 0.86 1.26 0.029 40. LP ( 1) C 4 725. RY ( 3) H 14 1.30 3.43 0.060 40. LP ( 1) C 4 931. RY ( 6) S 21 0.69 2.97 0.040 40. LP ( 1) C 4 1175. RY ( 6) S 25 0.98 2.83 0.047 40. LP ( 1) C 4 1176. RY ( 7) S 25 0.57 2.38 0.033 40. LP ( 1) C 4 1231. RY ( 1)Mo 26 2.85 2.98 0.082 40. LP ( 1) C 4 1233. RY ( 3)Mo 26 2.20 2.50 0.066 40. LP ( 1) C 4 1234. RY ( 4)Mo 26 1.84 1.34 0.044 40. LP ( 1) C 4 1235. RY ( 5)Mo 26 1.60 2.51 0.057 40. LP ( 1) C 4 1237. RY ( 7)Mo 26 3.09 5.04 0.112 40. LP ( 1) C 4 1239. RY ( 9)Mo 26 2.47 8.61 0.130 40. LP ( 1) C 4 1240. RY (10)Mo 26 0.74 2.73 0.040 40. LP ( 1) C 4 1245. RY (15)Mo 26 1.46 3.95 0.068 40. LP ( 1) C 4 1249. RY (19)Mo 26 1.49 3.86 0.068 40. LP ( 1) C 4 1257. RY (27)Mo 26 0.54 2.39 0.032 40. LP ( 1) C 4 1279. RY (49)Mo 26 0.83 6.17 0.064 41. LP ( 1) S 21 104. BD*( 1) S 21-Mo 26 0.50 0.51 0.014 41. LP ( 1) S 21 110. 3Cn( 1)C2-C3-Mo26 3.45 0.48 0.036 41. LP ( 1) S 21 111. 3Cn( 1)C7-C8-Mo26 2.90 0.68 0.040 41. LP ( 1) S 21 112. 3C*( 1)C1-C5-Mo26 3.54 1.05 0.054 41. LP ( 1) S 21 113. 3C*( 1)C2-C3-Mo26 4.17 0.53 0.042 41. LP ( 1) S 21 1234. RY ( 4)Mo 26 1.45 1.67 0.044 41. LP ( 1) S 21 1239. RY ( 9)Mo 26 0.58 8.94 0.064 41. LP ( 1) S 21 1249. RY (19)Mo 26 0.53 4.19 0.042 42. LP ( 2) S 21 105. BD*( 1) S 22- S 23 7.71 0.27 0.041 42. LP ( 2) S 21 113. 3C*( 1)C2-C3-Mo26 2.20 0.28 0.022 42. LP ( 2) S 21 987. RY ( 1) S 22 4.34 0.94 0.057 42. LP ( 2) S 21 1232. RY ( 2)Mo 26 0.51 1.49 0.025 44. LP ( 2) S 22 92. BD*( 1) C 5- H 15 0.63 0.65 0.018 44. LP ( 2) S 22 104. BD*( 1) S 21-Mo 26 4.41 0.28 0.031 44. LP ( 2) S 22 106. BD*( 1) S 23- S 24 5.24 0.30 0.035 44. LP ( 2) S 22 926. RY ( 1) S 21 2.50 1.24 0.050 44. LP ( 2) S 22 991. RY ( 5) S 22 0.50 1.43 0.024 44. LP ( 2) S 22 992. RY ( 6) S 22 1.03 1.32 0.033 44. LP ( 2) S 22 1048. RY ( 1) S 23 3.04 0.91 0.047 46. LP ( 2) S 23 103. BD*( 1) S 21- S 22 4.99 0.35 0.037 46. LP ( 2) S 23 107. BD*( 1) S 24- S 25 5.06 0.35 0.037 46. LP ( 2) S 23 987. RY ( 1) S 22 2.00 0.97 0.039 46. LP ( 2) S 23 988. RY ( 2) S 22 1.25 0.90 0.030 46. LP ( 2) S 23 1052. RY ( 5) S 23 0.88 1.52 0.033 46. LP ( 2) S 23 1109. RY ( 1) S 24 2.03 0.97 0.040 46. LP ( 2) S 23 1110. RY ( 2) S 24 1.22 0.91 0.030 48. LP ( 2) S 24 105. BD*( 1) S 22- S 23 5.24 0.30 0.035 48. LP ( 2) S 24 108. BD*( 1) S 25-Mo 26 4.28 0.28 0.031 48. LP ( 2) S 24 1048. RY ( 1) S 23 3.03 0.91 0.047 48. LP ( 2) S 24 1113. RY ( 5) S 24 0.54 1.44 0.025 48. LP ( 2) S 24 1114. RY ( 6) S 24 1.02 1.32 0.033 48. LP ( 2) S 24 1170. RY ( 1) S 25 2.56 1.23 0.050 49. LP ( 1) S 25 108. BD*( 1) S 25-Mo 26 0.50 0.51 0.014 49. LP ( 1) S 25 109. 3Cn( 1)C1-C5-Mo26 2.53 0.49 0.032 49. LP ( 1) S 25 111. 3Cn( 1)C7-C8-Mo26 1.91 0.68 0.032 49. LP ( 1) S 25 112. 3C*( 1)C1-C5-Mo26 5.70 1.05 0.069 49. LP ( 1) S 25 113. 3C*( 1)C2-C3-Mo26 3.49 0.53 0.038 49. LP ( 1) S 25 1234. RY ( 4)Mo 26 1.00 1.67 0.037 49. LP ( 1) S 25 1239. RY ( 9)Mo 26 0.70 8.94 0.071 49. LP ( 1) S 25 1249. RY (19)Mo 26 0.54 4.19 0.043 50. LP ( 2) S 25 106. BD*( 1) S 23- S 24 7.77 0.27 0.041 50. LP ( 2) S 25 111. 3Cn( 1)C7-C8-Mo26 1.69 0.43 0.024 50. LP ( 2) S 25 113. 3C*( 1)C2-C3-Mo26 0.99 0.28 0.015 50. LP ( 2) S 25 115. 3C*( 1)C7-C8-Mo26 0.88 0.26 0.013 50. LP ( 2) S 25 1109. RY ( 1) S 24 4.32 0.94 0.057 50. LP ( 2) S 25 1232. RY ( 2)Mo 26 0.52 1.49 0.025 51. LP ( 1)Mo 26 103. BD*( 1) S 21- S 22 1.46 0.28 0.018 51. LP ( 1)Mo 26 107. BD*( 1) S 24- S 25 1.47 0.28 0.018 51. LP ( 1)Mo 26 109. 3Cn( 1)C1-C5-Mo26 7.82 0.20 0.035 51. LP ( 1)Mo 26 110. 3Cn( 1)C2-C3-Mo26 14.81 0.19 0.047 51. LP ( 1)Mo 26 113. 3C*( 1)C2-C3-Mo26 9.26 0.24 0.042 51. LP ( 1)Mo 26 114. 3C*( 1)C6-C9-C10 16.75 0.22 0.054 51. LP ( 1)Mo 26 115. 3C*( 1)C7-C8-Mo26 9.31 0.21 0.040 51. LP ( 1)Mo 26 170. RY ( 3) C 2 0.67 2.04 0.033 51. LP ( 1)Mo 26 926. RY ( 1) S 21 0.79 1.17 0.027 51. LP ( 1)Mo 26 1170. RY ( 1) S 25 0.77 1.17 0.027 52. BD ( 1) C 1- C 2 88. BD*( 1) C 3- C 4 0.51 1.00 0.020 52. BD ( 1) C 1- C 2 89. BD*( 1) C 3- H 13 2.09 0.94 0.040 52. BD ( 1) C 1- C 2 92. BD*( 1) C 5- H 15 2.50 0.97 0.044 52. BD ( 1) C 1- C 2 108. BD*( 1) S 25-Mo 26 1.85 0.60 0.030 52. BD ( 1) C 1- C 2 109. 3Cn( 1)C1-C5-Mo26 2.68 0.59 0.035 52. BD ( 1) C 1- C 2 110. 3Cn( 1)C2-C3-Mo26 7.79 0.57 0.060 52. BD ( 1) C 1- C 2 111. 3Cn( 1)C7-C8-Mo26 0.77 0.78 0.022 52. BD ( 1) C 1- C 2 112. 3C*( 1)C1-C5-Mo26 2.42 1.14 0.047 52. BD ( 1) C 1- C 2 220. RY ( 1) C 3 1.90 2.26 0.058 52. BD ( 1) C 1- C 2 221. RY ( 2) C 3 0.86 2.08 0.038 52. BD ( 1) C 1- C 2 325. RY ( 2) C 5 2.43 2.30 0.067 52. BD ( 1) C 1- C 2 636. RY ( 1) H 11 0.53 3.49 0.038 52. BD ( 1) C 1- C 2 665. RY ( 1) H 12 0.71 3.57 0.045 52. BD ( 1) C 1- C 2 1232. RY ( 2)Mo 26 1.56 1.84 0.048 53. BD ( 1) C 1- C 5 87. BD*( 1) C 2- H 12 2.43 0.94 0.043 53. BD ( 1) C 1- C 5 91. BD*( 1) C 4- H 14 2.37 0.97 0.043 53. BD ( 1) C 1- C 5 104. BD*( 1) S 21-Mo 26 1.46 0.61 0.027 53. BD ( 1) C 1- C 5 112. 3C*( 1)C1-C5-Mo26 2.16 1.15 0.044 53. BD ( 1) C 1- C 5 168. RY ( 1) C 2 0.61 2.45 0.034 53. BD ( 1) C 1- C 5 169. RY ( 2) C 2 2.07 2.11 0.059 53. BD ( 1) C 1- C 5 272. RY ( 1) C 4 2.19 2.01 0.059 53. BD ( 1) C 1- C 5 275. RY ( 4) C 4 0.75 2.53 0.039 53. BD ( 1) C 1- C 5 636. RY ( 1) H 11 0.71 3.49 0.045 53. BD ( 1) C 1- C 5 755. RY ( 4) H 15 0.69 3.19 0.042 54. BD ( 1) C 1- H 11 86. BD*( 1) C 2- C 3 1.73 0.92 0.036 54. BD ( 1) C 1- H 11 90. BD*( 1) C 4- C 5 1.67 0.95 0.036 54. BD ( 1) C 1- H 11 108. BD*( 1) S 25-Mo 26 1.80 0.54 0.028 54. BD ( 1) C 1- H 11 109. 3Cn( 1)C1-C5-Mo26 0.60 0.53 0.016 54. BD ( 1) C 1- H 11 112. 3C*( 1)C1-C5-Mo26 0.85 1.09 0.027 54. BD ( 1) C 1- H 11 168. RY ( 1) C 2 1.32 2.39 0.050 54. BD ( 1) C 1- H 11 173. RY ( 6) C 2 0.59 5.31 0.050 54. BD ( 1) C 1- H 11 324. RY ( 1) C 5 0.85 1.91 0.036 54. BD ( 1) C 1- H 11 325. RY ( 2) C 5 0.72 2.24 0.036 54. BD ( 1) C 1- H 11 330. RY ( 7) C 5 0.63 5.05 0.050 55. BD ( 1) C 2- C 3 84. BD*( 1) C 1- C 5 0.52 1.00 0.020 55. BD ( 1) C 2- C 3 85. BD*( 1) C 1- H 11 2.07 0.95 0.040 55. BD ( 1) C 2- C 3 91. BD*( 1) C 4- H 14 2.54 0.97 0.044 55. BD ( 1) C 2- C 3 104. BD*( 1) S 21-Mo 26 1.90 0.60 0.030 55. BD ( 1) C 2- C 3 110. 3Cn( 1)C2-C3-Mo26 0.82 0.58 0.019 55. BD ( 1) C 2- C 3 113. 3C*( 1)C2-C3-Mo26 1.24 0.63 0.025 55. BD ( 1) C 2- C 3 116. RY ( 1) C 1 2.07 2.25 0.061 55. BD ( 1) C 2- C 3 117. RY ( 2) C 1 0.72 2.10 0.035 55. BD ( 1) C 2- C 3 273. RY ( 2) C 4 2.56 2.25 0.068 55. BD ( 1) C 2- C 3 665. RY ( 1) H 12 0.67 3.57 0.044 55. BD ( 1) C 2- C 3 666. RY ( 2) H 12 0.54 3.60 0.039 55. BD ( 1) C 2- C 3 695. RY ( 2) H 13 0.57 3.15 0.038 55. BD ( 1) C 2- C 3 1232. RY ( 2)Mo 26 1.90 1.84 0.053 56. BD ( 1) C 2- H 12 84. BD*( 1) C 1- C 5 1.53 0.95 0.034 56. BD ( 1) C 2- H 12 88. BD*( 1) C 3- C 4 1.54 0.95 0.034 56. BD ( 1) C 2- H 12 104. BD*( 1) S 21-Mo 26 1.57 0.55 0.026 56. BD ( 1) C 2- H 12 108. BD*( 1) S 25-Mo 26 1.84 0.56 0.029 56. BD ( 1) C 2- H 12 110. 3Cn( 1)C2-C3-Mo26 1.35 0.53 0.024 56. BD ( 1) C 2- H 12 116. RY ( 1) C 1 0.93 2.20 0.040 56. BD ( 1) C 2- H 12 117. RY ( 2) C 1 0.53 2.06 0.029 56. BD ( 1) C 2- H 12 122. RY ( 7) C 1 0.55 5.03 0.047 56. BD ( 1) C 2- H 12 220. RY ( 1) C 3 1.00 2.21 0.042 56. BD ( 1) C 2- H 12 226. RY ( 7) C 3 0.56 4.98 0.047 57. BD ( 1) C 3- C 4 87. BD*( 1) C 2- H 12 2.38 0.94 0.042 57. BD ( 1) C 3- C 4 92. BD*( 1) C 5- H 15 2.35 0.98 0.043 57. BD ( 1) C 3- C 4 108. BD*( 1) S 25-Mo 26 1.36 0.61 0.026 57. BD ( 1) C 3- C 4 110. 3Cn( 1)C2-C3-Mo26 0.89 0.58 0.020 57. BD ( 1) C 3- C 4 111. 3Cn( 1)C7-C8-Mo26 4.75 0.79 0.055 57. BD ( 1) C 3- C 4 113. 3C*( 1)C2-C3-Mo26 4.46 0.64 0.048 57. BD ( 1) C 3- C 4 115. 3C*( 1)C7-C8-Mo26 2.02 0.61 0.031 57. BD ( 1) C 3- C 4 168. RY ( 1) C 2 0.88 2.46 0.041 57. BD ( 1) C 3- C 4 169. RY ( 2) C 2 1.78 2.11 0.055 57. BD ( 1) C 3- C 4 324. RY ( 1) C 5 2.40 1.98 0.062 57. BD ( 1) C 3- C 4 694. RY ( 1) H 13 0.75 3.44 0.045 57. BD ( 1) C 3- C 4 725. RY ( 3) H 14 0.53 3.86 0.040 57. BD ( 1) C 3- C 4 726. RY ( 4) H 14 0.53 3.18 0.037 58. BD ( 1) C 3- H 13 83. BD*( 1) C 1- C 2 1.73 0.92 0.036 58. BD ( 1) C 3- H 13 90. BD*( 1) C 4- C 5 1.70 0.95 0.036 58. BD ( 1) C 3- H 13 104. BD*( 1) S 21-Mo 26 2.00 0.54 0.029 58. BD ( 1) C 3- H 13 111. 3Cn( 1)C7-C8-Mo26 0.66 0.72 0.019 58. BD ( 1) C 3- H 13 113. 3C*( 1)C2-C3-Mo26 0.86 0.57 0.020 58. BD ( 1) C 3- H 13 168. RY ( 1) C 2 1.28 2.39 0.049 58. BD ( 1) C 3- H 13 173. RY ( 6) C 2 0.64 5.31 0.052 58. BD ( 1) C 3- H 13 272. RY ( 1) C 4 0.99 1.94 0.039 58. BD ( 1) C 3- H 13 273. RY ( 2) C 4 0.60 2.19 0.032 58. BD ( 1) C 3- H 13 278. RY ( 7) C 4 0.69 5.12 0.053 59. BD ( 1) C 4- C 5 85. BD*( 1) C 1- H 11 2.28 0.96 0.042 59. BD ( 1) C 4- C 5 89. BD*( 1) C 3- H 13 2.39 0.96 0.043 59. BD ( 1) C 4- C 5 104. BD*( 1) S 21-Mo 26 1.55 0.62 0.028 59. BD ( 1) C 4- C 5 108. BD*( 1) S 25-Mo 26 1.52 0.62 0.027 59. BD ( 1) C 4- C 5 109. 3Cn( 1)C1-C5-Mo26 4.76 0.60 0.048 59. BD ( 1) C 4- C 5 111. 3Cn( 1)C7-C8-Mo26 2.85 0.79 0.042 59. BD ( 1) C 4- C 5 115. 3C*( 1)C7-C8-Mo26 0.81 0.62 0.020 59. BD ( 1) C 4- C 5 117. RY ( 2) C 1 2.82 2.12 0.069 59. BD ( 1) C 4- C 5 221. RY ( 2) C 3 2.94 2.09 0.070 59. BD ( 1) C 4- C 5 724. RY ( 2) H 14 0.77 3.27 0.045 59. BD ( 1) C 4- C 5 753. RY ( 2) H 15 0.67 3.19 0.041 60. BD ( 1) C 4- H 14 84. BD*( 1) C 1- C 5 2.07 0.93 0.039 60. BD ( 1) C 4- H 14 86. BD*( 1) C 2- C 3 1.74 0.91 0.035 60. BD ( 1) C 4- H 14 111. 3Cn( 1)C7-C8-Mo26 1.92 0.71 0.033 60. BD ( 1) C 4- H 14 220. RY ( 1) C 3 1.32 2.20 0.048 60. BD ( 1) C 4- H 14 225. RY ( 6) C 3 0.56 4.01 0.042 60. BD ( 1) C 4- H 14 230. RY (11) C 3 0.58 4.36 0.045 60. BD ( 1) C 4- H 14 324. RY ( 1) C 5 0.59 1.90 0.030 60. BD ( 1) C 4- H 14 325. RY ( 2) C 5 1.05 2.23 0.043 61. BD ( 1) C 5- H 15 83. BD*( 1) C 1- C 2 1.67 0.91 0.035 61. BD ( 1) C 5- H 15 88. BD*( 1) C 3- C 4 2.07 0.93 0.039 61. BD ( 1) C 5- H 15 109. 3Cn( 1)C1-C5-Mo26 1.22 0.52 0.022 61. BD ( 1) C 5- H 15 116. RY ( 1) C 1 1.30 2.18 0.048 61. BD ( 1) C 5- H 15 121. RY ( 6) C 1 0.50 4.09 0.041 61. BD ( 1) C 5- H 15 126. RY (11) C 1 0.57 5.24 0.049 61. BD ( 1) C 5- H 15 272. RY ( 1) C 4 0.69 1.93 0.033 61. BD ( 1) C 5- H 15 273. RY ( 2) C 4 1.00 2.18 0.042 62. BD ( 1) C 6- C 7 98. BD*( 1) C 8- C 9 0.52 0.98 0.020 62. BD ( 1) C 6- C 7 99. BD*( 1) C 8- H 18 2.87 0.93 0.046 62. BD ( 1) C 6- C 7 102. BD*( 1) C 10- H 20 2.17 0.95 0.041 62. BD ( 1) C 6- C 7 104. BD*( 1) S 21-Mo 26 1.49 0.60 0.027 62. BD ( 1) C 6- C 7 108. BD*( 1) S 25-Mo 26 1.65 0.60 0.028 62. BD ( 1) C 6- C 7 110. 3Cn( 1)C2-C3-Mo26 1.51 0.57 0.026 62. BD ( 1) C 6- C 7 111. 3Cn( 1)C7-C8-Mo26 5.10 0.78 0.056 62. BD ( 1) C 6- C 7 112. 3C*( 1)C1-C5-Mo26 1.15 1.14 0.032 62. BD ( 1) C 6- C 7 113. 3C*( 1)C2-C3-Mo26 1.65 0.62 0.029 62. BD ( 1) C 6- C 7 114. 3C*( 1)C6-C9-C10 2.62 0.60 0.035 62. BD ( 1) C 6- C 7 115. 3C*( 1)C7-C8-Mo26 1.02 0.60 0.022 62. BD ( 1) C 6- C 7 480. RY ( 1) C 8 0.75 2.26 0.037 62. BD ( 1) C 6- C 7 481. RY ( 2) C 8 1.84 2.12 0.056 62. BD ( 1) C 6- C 7 585. RY ( 2) C 10 2.19 2.22 0.062 62. BD ( 1) C 6- C 7 783. RY ( 3) H 16 0.65 3.41 0.042 62. BD ( 1) C 6- C 7 811. RY ( 2) H 17 0.71 3.41 0.044 63. BD ( 1) C 6- C 10 97. BD*( 1) C 7- H 17 2.17 0.95 0.041 63. BD ( 1) C 6- C 10 98. BD*( 1) C 8- C 9 0.52 0.98 0.020 63. BD ( 1) C 6- C 10 101. BD*( 1) C 9- H 19 2.87 0.93 0.046 63. BD ( 1) C 6- C 10 104. BD*( 1) S 21-Mo 26 1.66 0.60 0.028 63. BD ( 1) C 6- C 10 108. BD*( 1) S 25-Mo 26 1.50 0.60 0.027 63. BD ( 1) C 6- C 10 109. 3Cn( 1)C1-C5-Mo26 0.53 0.59 0.016 63. BD ( 1) C 6- C 10 112. 3C*( 1)C1-C5-Mo26 8.13 1.14 0.086 63. BD ( 1) C 6- C 10 429. RY ( 2) C 7 2.18 2.23 0.062 63. BD ( 1) C 6- C 10 532. RY ( 1) C 9 1.01 2.24 0.043 63. BD ( 1) C 6- C 10 533. RY ( 2) C 9 1.56 2.17 0.052 63. BD ( 1) C 6- C 10 783. RY ( 3) H 16 0.58 3.41 0.040 63. BD ( 1) C 6- C 10 898. RY ( 2) H 20 0.70 3.42 0.044 64. BD ( 1) C 6- H 16 96. BD*( 1) C 7- C 8 1.67 0.94 0.035 64. BD ( 1) C 6- H 16 100. BD*( 1) C 9- C 10 1.67 0.94 0.035 64. BD ( 1) C 6- H 16 110. 3Cn( 1)C2-C3-Mo26 0.96 0.50 0.020 64. BD ( 1) C 6- H 16 112. 3C*( 1)C1-C5-Mo26 0.56 1.07 0.022 64. BD ( 1) C 6- H 16 113. 3C*( 1)C2-C3-Mo26 2.78 0.55 0.035 64. BD ( 1) C 6- H 16 114. 3C*( 1)C6-C9-C10 0.60 0.53 0.016 64. BD ( 1) C 6- H 16 428. RY ( 1) C 7 1.24 2.23 0.047 64. BD ( 1) C 6- H 16 434. RY ( 7) C 7 0.59 4.67 0.047 64. BD ( 1) C 6- H 16 584. RY ( 1) C 10 1.25 2.23 0.047 64. BD ( 1) C 6- H 16 590. RY ( 7) C 10 0.55 4.56 0.045 65. BD ( 1) C 7- C 8 95. BD*( 1) C 6- H 16 2.15 0.98 0.041 65. BD ( 1) C 7- C 8 101. BD*( 1) C 9- H 19 2.41 0.95 0.043 65. BD ( 1) C 7- C 8 104. BD*( 1) S 21-Mo 26 0.84 0.62 0.020 65. BD ( 1) C 7- C 8 108. BD*( 1) S 25-Mo 26 0.52 0.63 0.016 65. BD ( 1) C 7- C 8 111. 3Cn( 1)C7-C8-Mo26 1.76 0.80 0.033 65. BD ( 1) C 7- C 8 377. RY ( 2) C 6 2.29 2.34 0.065 65. BD ( 1) C 7- C 8 533. RY ( 2) C 9 2.50 2.19 0.066 65. BD ( 1) C 7- C 8 810. RY ( 1) H 17 0.53 2.53 0.033 65. BD ( 1) C 7- C 8 839. RY ( 1) H 18 0.62 3.48 0.041 65. BD ( 1) C 7- C 8 1238. RY ( 8)Mo 26 0.54 2.18 0.031 66. BD ( 1) C 7- H 17 94. BD*( 1) C 6- C 10 1.60 0.92 0.034 66. BD ( 1) C 7- H 17 98. BD*( 1) C 8- C 9 2.02 0.92 0.039 66. BD ( 1) C 7- H 17 103. BD*( 1) S 21- S 22 0.74 0.61 0.019 66. BD ( 1) C 7- H 17 110. 3Cn( 1)C2-C3-Mo26 0.66 0.52 0.016 66. BD ( 1) C 7- H 17 111. 3Cn( 1)C7-C8-Mo26 1.15 0.72 0.026 66. BD ( 1) C 7- H 17 376. RY ( 1) C 6 1.04 2.15 0.042 66. BD ( 1) C 7- H 17 381. RY ( 6) C 6 0.57 5.41 0.050 66. BD ( 1) C 7- H 17 480. RY ( 1) C 8 1.26 2.21 0.047 66. BD ( 1) C 7- H 17 486. RY ( 7) C 8 0.74 5.21 0.056 67. BD ( 1) C 8- C 9 97. BD*( 1) C 7- H 17 2.39 0.98 0.043 67. BD ( 1) C 8- C 9 102. BD*( 1) C 10- H 20 2.39 0.98 0.043 67. BD ( 1) C 8- C 9 104. BD*( 1) S 21-Mo 26 0.74 0.62 0.019 67. BD ( 1) C 8- C 9 108. BD*( 1) S 25-Mo 26 0.77 0.62 0.020 67. BD ( 1) C 8- C 9 110. 3Cn( 1)C2-C3-Mo26 0.51 0.60 0.016 67. BD ( 1) C 8- C 9 111. 3Cn( 1)C7-C8-Mo26 0.58 0.80 0.019 67. BD ( 1) C 8- C 9 112. 3C*( 1)C1-C5-Mo26 1.46 1.17 0.037 67. BD ( 1) C 8- C 9 113. 3C*( 1)C2-C3-Mo26 2.15 0.65 0.033 67. BD ( 1) C 8- C 9 114. 3C*( 1)C6-C9-C10 1.66 0.63 0.029 67. BD ( 1) C 8- C 9 115. 3C*( 1)C7-C8-Mo26 4.03 0.62 0.045 67. BD ( 1) C 8- C 9 428. RY ( 1) C 7 2.42 2.32 0.067 67. BD ( 1) C 8- C 9 429. RY ( 2) C 7 0.68 2.26 0.035 67. BD ( 1) C 8- C 9 584. RY ( 1) C 10 2.39 2.32 0.067 67. BD ( 1) C 8- C 9 585. RY ( 2) C 10 0.72 2.25 0.036 67. BD ( 1) C 8- C 9 839. RY ( 1) H 18 0.79 3.48 0.047 67. BD ( 1) C 8- C 9 868. RY ( 1) H 19 0.76 3.46 0.046 68. BD ( 1) C 8- H 18 93. BD*( 1) C 6- C 7 1.81 0.94 0.037 68. BD ( 1) C 8- H 18 100. BD*( 1) C 9- C 10 1.74 0.97 0.037 68. BD ( 1) C 8- H 18 108. BD*( 1) S 25-Mo 26 2.83 0.56 0.036 68. BD ( 1) C 8- H 18 115. 3C*( 1)C7-C8-Mo26 0.79 0.56 0.019 68. BD ( 1) C 8- H 18 428. RY ( 1) C 7 0.88 2.25 0.040 68. BD ( 1) C 8- H 18 429. RY ( 2) C 7 0.88 2.19 0.039 68. BD ( 1) C 8- H 18 532. RY ( 1) C 9 1.45 2.20 0.050 69. BD ( 1) C 9- C 10 95. BD*( 1) C 6- H 16 2.15 0.98 0.041 69. BD ( 1) C 9- C 10 99. BD*( 1) C 8- H 18 2.41 0.95 0.043 69. BD ( 1) C 9- C 10 104. BD*( 1) S 21-Mo 26 0.54 0.62 0.016 69. BD ( 1) C 9- C 10 108. BD*( 1) S 25-Mo 26 0.86 0.63 0.021 69. BD ( 1) C 9- C 10 110. 3Cn( 1)C2-C3-Mo26 0.93 0.60 0.021 69. BD ( 1) C 9- C 10 111. 3Cn( 1)C7-C8-Mo26 0.56 0.80 0.019 69. BD ( 1) C 9- C 10 112. 3C*( 1)C1-C5-Mo26 5.10 1.17 0.069 69. BD ( 1) C 9- C 10 113. 3C*( 1)C2-C3-Mo26 1.81 0.65 0.031 69. BD ( 1) C 9- C 10 376. RY ( 1) C 6 1.22 2.24 0.047 69. BD ( 1) C 9- C 10 377. RY ( 2) C 6 0.64 2.34 0.035 69. BD ( 1) C 9- C 10 378. RY ( 3) C 6 0.56 3.13 0.037 69. BD ( 1) C 9- C 10 480. RY ( 1) C 8 0.61 2.29 0.033 69. BD ( 1) C 9- C 10 481. RY ( 2) C 8 2.32 2.15 0.063 69. BD ( 1) C 9- C 10 868. RY ( 1) H 19 0.63 3.46 0.042 69. BD ( 1) C 9- C 10 897. RY ( 1) H 20 0.53 2.55 0.033 70. BD ( 1) C 9- H 19 94. BD*( 1) C 6- C 10 1.80 0.94 0.037 70. BD ( 1) C 9- H 19 96. BD*( 1) C 7- C 8 1.75 0.97 0.037 70. BD ( 1) C 9- H 19 104. BD*( 1) S 21-Mo 26 2.88 0.56 0.036 70. BD ( 1) C 9- H 19 480. RY ( 1) C 8 1.48 2.22 0.051 70. BD ( 1) C 9- H 19 584. RY ( 1) C 10 0.89 2.26 0.040 70. BD ( 1) C 9- H 19 585. RY ( 2) C 10 0.85 2.18 0.038 71. BD ( 1) C 10- H 20 93. BD*( 1) C 6- C 7 1.61 0.92 0.034 71. BD ( 1) C 10- H 20 98. BD*( 1) C 8- C 9 2.00 0.92 0.038 71. BD ( 1) C 10- H 20 107. BD*( 1) S 24- S 25 0.71 0.61 0.019 71. BD ( 1) C 10- H 20 112. 3C*( 1)C1-C5-Mo26 1.60 1.09 0.037 71. BD ( 1) C 10- H 20 114. 3C*( 1)C6-C9-C10 0.89 0.55 0.020 71. BD ( 1) C 10- H 20 376. RY ( 1) C 6 0.75 2.15 0.036 71. BD ( 1) C 10- H 20 381. RY ( 6) C 6 0.58 5.41 0.050 71. BD ( 1) C 10- H 20 532. RY ( 1) C 9 1.15 2.19 0.045 71. BD ( 1) C 10- H 20 538. RY ( 7) C 9 0.73 5.18 0.055 72. BD ( 1) S 21- S 22 1050. RY ( 3) S 23 0.90 1.31 0.031 72. BD ( 1) S 21- S 22 1231. RY ( 1)Mo 26 0.67 3.35 0.042 73. BD ( 1) S 21-Mo 26 103. BD*( 1) S 21- S 22 0.54 0.44 0.014 73. BD ( 1) S 21-Mo 26 104. BD*( 1) S 21-Mo 26 2.87 0.38 0.029 73. BD ( 1) S 21-Mo 26 108. BD*( 1) S 25-Mo 26 6.58 0.38 0.044 73. BD ( 1) S 21-Mo 26 110. 3Cn( 1)C2-C3-Mo26 1.20 0.35 0.018 73. BD ( 1) S 21-Mo 26 111. 3Cn( 1)C7-C8-Mo26 4.66 0.55 0.045 73. BD ( 1) S 21-Mo 26 112. 3C*( 1)C1-C5-Mo26 6.96 0.92 0.071 73. BD ( 1) S 21-Mo 26 113. 3C*( 1)C2-C3-Mo26 3.91 0.40 0.035 73. BD ( 1) S 21-Mo 26 114. 3C*( 1)C6-C9-C10 0.79 0.38 0.016 73. BD ( 1) S 21-Mo 26 115. 3C*( 1)C7-C8-Mo26 1.76 0.38 0.023 73. BD ( 1) S 21-Mo 26 118. RY ( 3) C 1 2.33 2.38 0.067 73. BD ( 1) S 21-Mo 26 274. RY ( 3) C 4 4.03 2.65 0.092 73. BD ( 1) S 21-Mo 26 325. RY ( 2) C 5 0.76 2.07 0.035 73. BD ( 1) S 21-Mo 26 326. RY ( 3) C 5 2.86 2.72 0.079 73. BD ( 1) S 21-Mo 26 333. RY (10) C 5 0.50 2.17 0.029 73. BD ( 1) S 21-Mo 26 334. RY (11) C 5 0.63 2.96 0.038 73. BD ( 1) S 21-Mo 26 377. RY ( 2) C 6 1.31 2.09 0.047 73. BD ( 1) S 21-Mo 26 378. RY ( 3) C 6 2.98 2.88 0.083 73. BD ( 1) S 21-Mo 26 379. RY ( 4) C 6 0.86 2.72 0.043 73. BD ( 1) S 21-Mo 26 384. RY ( 9) C 6 0.64 2.56 0.036 73. BD ( 1) S 21-Mo 26 430. RY ( 3) C 7 1.52 2.17 0.051 73. BD ( 1) S 21-Mo 26 482. RY ( 3) C 8 0.78 2.19 0.037 73. BD ( 1) S 21-Mo 26 586. RY ( 3) C 10 1.51 2.28 0.052 73. BD ( 1) S 21-Mo 26 931. RY ( 6) S 21 1.47 3.18 0.061 73. BD ( 1) S 21-Mo 26 932. RY ( 7) S 21 0.82 2.48 0.040 73. BD ( 1) S 21-Mo 26 988. RY ( 2) S 22 0.52 1.00 0.020 73. BD ( 1) S 21-Mo 26 989. RY ( 3) S 22 1.07 0.92 0.028 73. BD ( 1) S 21-Mo 26 1171. RY ( 2) S 25 0.64 1.44 0.027 73. BD ( 1) S 21-Mo 26 1174. RY ( 5) S 25 0.95 2.41 0.043 73. BD ( 1) S 21-Mo 26 1175. RY ( 6) S 25 2.79 3.03 0.082 73. BD ( 1) S 21-Mo 26 1176. RY ( 7) S 25 2.11 2.59 0.066 73. BD ( 1) S 21-Mo 26 1178. RY ( 9) S 25 0.82 1.79 0.034 73. BD ( 1) S 21-Mo 26 1180. RY (11) S 25 1.10 2.35 0.045 73. BD ( 1) S 21-Mo 26 1231. RY ( 1)Mo 26 2.30 3.18 0.076 73. BD ( 1) S 21-Mo 26 1232. RY ( 2)Mo 26 0.60 1.61 0.028 73. BD ( 1) S 21-Mo 26 1233. RY ( 3)Mo 26 2.49 2.70 0.073 73. BD ( 1) S 21-Mo 26 1234. RY ( 4)Mo 26 3.51 1.54 0.066 73. BD ( 1) S 21-Mo 26 1235. RY ( 5)Mo 26 4.16 2.71 0.095 73. BD ( 1) S 21-Mo 26 1236. RY ( 6)Mo 26 0.85 2.96 0.045 73. BD ( 1) S 21-Mo 26 1237. RY ( 7)Mo 26 5.39 5.25 0.150 73. BD ( 1) S 21-Mo 26 1239. RY ( 9)Mo 26 3.72 8.81 0.162 73. BD ( 1) S 21-Mo 26 1245. RY (15)Mo 26 3.72 4.15 0.111 73. BD ( 1) S 21-Mo 26 1247. RY (17)Mo 26 1.08 3.57 0.055 73. BD ( 1) S 21-Mo 26 1249. RY (19)Mo 26 2.12 4.06 0.083 73. BD ( 1) S 21-Mo 26 1255. RY (25)Mo 26 0.67 4.17 0.047 73. BD ( 1) S 21-Mo 26 1269. RY (39)Mo 26 1.31 5.14 0.073 73. BD ( 1) S 21-Mo 26 1273. RY (43)Mo 26 0.51 4.41 0.042 73. BD ( 1) S 21-Mo 26 1276. RY (46)Mo 26 0.99 7.43 0.076 73. BD ( 1) S 21-Mo 26 1279. RY (49)Mo 26 1.38 6.37 0.084 74. BD ( 1) S 22- S 23 103. BD*( 1) S 21- S 22 0.64 0.60 0.017 74. BD ( 1) S 22- S 23 106. BD*( 1) S 23- S 24 0.57 0.55 0.016 74. BD ( 1) S 22- S 23 927. RY ( 2) S 21 1.68 1.59 0.046 74. BD ( 1) S 22- S 23 928. RY ( 3) S 21 1.04 1.67 0.037 74. BD ( 1) S 22- S 23 1112. RY ( 4) S 24 1.45 1.40 0.040 74. BD ( 1) S 22- S 23 1114. RY ( 6) S 24 0.68 1.57 0.029 75. BD ( 1) S 23- S 24 105. BD*( 1) S 22- S 23 0.57 0.55 0.016 75. BD ( 1) S 23- S 24 107. BD*( 1) S 24- S 25 0.63 0.60 0.017 75. BD ( 1) S 23- S 24 989. RY ( 3) S 22 0.51 1.08 0.021 75. BD ( 1) S 23- S 24 990. RY ( 4) S 22 1.39 1.38 0.039 75. BD ( 1) S 23- S 24 992. RY ( 6) S 22 0.70 1.57 0.030 75. BD ( 1) S 23- S 24 1171. RY ( 2) S 25 1.81 1.60 0.048 75. BD ( 1) S 23- S 24 1172. RY ( 3) S 25 0.90 1.65 0.034 76. BD ( 1) S 24- S 25 1050. RY ( 3) S 23 0.86 1.31 0.030 76. BD ( 1) S 24- S 25 1231. RY ( 1)Mo 26 0.90 3.35 0.049 76. BD ( 1) S 24- S 25 1237. RY ( 7)Mo 26 0.57 5.41 0.050 77. BD ( 1) S 25-Mo 26 104. BD*( 1) S 21-Mo 26 6.50 0.38 0.044 77. BD ( 1) S 25-Mo 26 107. BD*( 1) S 24- S 25 0.51 0.44 0.013 77. BD ( 1) S 25-Mo 26 108. BD*( 1) S 25-Mo 26 2.93 0.38 0.030 77. BD ( 1) S 25-Mo 26 109. 3Cn( 1)C1-C5-Mo26 3.28 0.36 0.031 77. BD ( 1) S 25-Mo 26 111. 3Cn( 1)C7-C8-Mo26 7.85 0.55 0.059 77. BD ( 1) S 25-Mo 26 112. 3C*( 1)C1-C5-Mo26 4.69 0.92 0.059 77. BD ( 1) S 25-Mo 26 113. 3C*( 1)C2-C3-Mo26 4.70 0.40 0.039 77. BD ( 1) S 25-Mo 26 222. RY ( 3) C 3 2.24 2.32 0.064 77. BD ( 1) S 25-Mo 26 273. RY ( 2) C 4 0.69 2.03 0.033 77. BD ( 1) S 25-Mo 26 274. RY ( 3) C 4 2.43 2.65 0.072 77. BD ( 1) S 25-Mo 26 281. RY (10) C 4 0.63 2.37 0.034 77. BD ( 1) S 25-Mo 26 326. RY ( 3) C 5 4.45 2.72 0.098 77. BD ( 1) S 25-Mo 26 377. RY ( 2) C 6 0.70 2.09 0.034 77. BD ( 1) S 25-Mo 26 378. RY ( 3) C 6 3.70 2.88 0.092 77. BD ( 1) S 25-Mo 26 379. RY ( 4) C 6 0.54 2.72 0.034 77. BD ( 1) S 25-Mo 26 384. RY ( 9) C 6 0.69 2.56 0.038 77. BD ( 1) S 25-Mo 26 430. RY ( 3) C 7 1.50 2.17 0.051 77. BD ( 1) S 25-Mo 26 534. RY ( 3) C 9 0.81 2.15 0.037 77. BD ( 1) S 25-Mo 26 586. RY ( 3) C 10 1.56 2.28 0.053 77. BD ( 1) S 25-Mo 26 927. RY ( 2) S 21 0.62 1.43 0.027 77. BD ( 1) S 25-Mo 26 930. RY ( 5) S 21 0.93 2.42 0.042 77. BD ( 1) S 25-Mo 26 931. RY ( 6) S 21 2.96 3.18 0.087 77. BD ( 1) S 25-Mo 26 932. RY ( 7) S 21 1.84 2.48 0.060 77. BD ( 1) S 25-Mo 26 934. RY ( 9) S 21 0.65 1.74 0.030 77. BD ( 1) S 25-Mo 26 936. RY (11) S 21 1.09 2.32 0.045 77. BD ( 1) S 25-Mo 26 1111. RY ( 3) S 24 1.12 0.91 0.029 77. BD ( 1) S 25-Mo 26 1175. RY ( 6) S 25 1.44 3.03 0.059 77. BD ( 1) S 25-Mo 26 1176. RY ( 7) S 25 0.92 2.59 0.044 77. BD ( 1) S 25-Mo 26 1231. RY ( 1)Mo 26 2.56 3.19 0.081 77. BD ( 1) S 25-Mo 26 1233. RY ( 3)Mo 26 4.65 2.70 0.100 77. BD ( 1) S 25-Mo 26 1235. RY ( 5)Mo 26 4.11 2.71 0.094 77. BD ( 1) S 25-Mo 26 1236. RY ( 6)Mo 26 0.93 2.96 0.047 77. BD ( 1) S 25-Mo 26 1237. RY ( 7)Mo 26 5.23 5.25 0.148 77. BD ( 1) S 25-Mo 26 1239. RY ( 9)Mo 26 3.73 8.81 0.162 77. BD ( 1) S 25-Mo 26 1245. RY (15)Mo 26 3.73 4.15 0.111 77. BD ( 1) S 25-Mo 26 1247. RY (17)Mo 26 1.09 3.57 0.056 77. BD ( 1) S 25-Mo 26 1249. RY (19)Mo 26 2.19 4.06 0.084 77. BD ( 1) S 25-Mo 26 1255. RY (25)Mo 26 0.68 4.17 0.048 77. BD ( 1) S 25-Mo 26 1269. RY (39)Mo 26 1.35 5.14 0.074 77. BD ( 1) S 25-Mo 26 1273. RY (43)Mo 26 0.58 4.41 0.045 77. BD ( 1) S 25-Mo 26 1276. RY (46)Mo 26 0.95 7.43 0.075 77. BD ( 1) S 25-Mo 26 1279. RY (49)Mo 26 1.39 6.37 0.084 78. 3C ( 1)C1-C5-Mo26 83. BD*( 1) C 1- C 2 3.89 0.70 0.046 78. 3C ( 1)C1-C5-Mo26 85. BD*( 1) C 1- H 11 1.41 0.67 0.027 78. 3C ( 1)C1-C5-Mo26 87. BD*( 1) C 2- H 12 1.38 0.65 0.027 78. 3C ( 1)C1-C5-Mo26 90. BD*( 1) C 4- C 5 2.97 0.73 0.042 78. 3C ( 1)C1-C5-Mo26 91. BD*( 1) C 4- H 14 0.80 0.69 0.021 78. 3C ( 1)C1-C5-Mo26 92. BD*( 1) C 5- H 15 1.35 0.69 0.027 78. 3C ( 1)C1-C5-Mo26 104. BD*( 1) S 21-Mo 26 93.45 0.32 0.154 78. 3C ( 1)C1-C5-Mo26 108. BD*( 1) S 25-Mo 26 40.71 0.32 0.102 78. 3C ( 1)C1-C5-Mo26 109. 3Cn( 1)C1-C5-Mo26 6.61 0.31 0.040 78. 3C ( 1)C1-C5-Mo26 110. 3Cn( 1)C2-C3-Mo26 1.61 0.29 0.019 78. 3C ( 1)C1-C5-Mo26 111. 3Cn( 1)C7-C8-Mo26 80.38 0.50 0.178 78. 3C ( 1)C1-C5-Mo26 112. 3C*( 1)C1-C5-Mo26 50.54 0.86 0.187 78. 3C ( 1)C1-C5-Mo26 113. 3C*( 1)C2-C3-Mo26 100.18 0.35 0.166 78. 3C ( 1)C1-C5-Mo26 114. 3C*( 1)C6-C9-C10 0.61 0.32 0.013 78. 3C ( 1)C1-C5-Mo26 115. 3C*( 1)C7-C8-Mo26 15.83 0.32 0.064 78. 3C ( 1)C1-C5-Mo26 118. RY ( 3) C 1 9.02 2.33 0.129 78. 3C ( 1)C1-C5-Mo26 119. RY ( 4) C 1 1.29 2.15 0.047 78. 3C ( 1)C1-C5-Mo26 123. RY ( 8) C 1 1.22 2.76 0.052 78. 3C ( 1)C1-C5-Mo26 124. RY ( 9) C 1 1.38 2.83 0.056 78. 3C ( 1)C1-C5-Mo26 126. RY (11) C 1 1.33 5.03 0.073 78. 3C ( 1)C1-C5-Mo26 131. RY (16) C 1 0.73 3.54 0.045 78. 3C ( 1)C1-C5-Mo26 168. RY ( 1) C 2 0.98 2.17 0.041 78. 3C ( 1)C1-C5-Mo26 170. RY ( 3) C 2 0.68 2.14 0.034 78. 3C ( 1)C1-C5-Mo26 172. RY ( 5) C 2 5.02 2.31 0.096 78. 3C ( 1)C1-C5-Mo26 175. RY ( 8) C 2 0.62 3.41 0.041 78. 3C ( 1)C1-C5-Mo26 181. RY (14) C 2 2.52 4.54 0.096 78. 3C ( 1)C1-C5-Mo26 182. RY (15) C 2 1.48 3.97 0.069 78. 3C ( 1)C1-C5-Mo26 197. RY (30) C 2 1.08 6.69 0.076 78. 3C ( 1)C1-C5-Mo26 222. RY ( 3) C 3 8.50 2.27 0.124 78. 3C ( 1)C1-C5-Mo26 223. RY ( 4) C 3 1.60 2.78 0.060 78. 3C ( 1)C1-C5-Mo26 224. RY ( 5) C 3 0.74 2.81 0.041 78. 3C ( 1)C1-C5-Mo26 227. RY ( 8) C 3 1.86 2.80 0.064 78. 3C ( 1)C1-C5-Mo26 228. RY ( 9) C 3 2.36 2.87 0.074 78. 3C ( 1)C1-C5-Mo26 229. RY (10) C 3 0.56 3.79 0.041 78. 3C ( 1)C1-C5-Mo26 233. RY (14) C 3 0.61 3.48 0.041 78. 3C ( 1)C1-C5-Mo26 235. RY (16) C 3 0.92 3.86 0.053 78. 3C ( 1)C1-C5-Mo26 273. RY ( 2) C 4 1.75 1.97 0.052 78. 3C ( 1)C1-C5-Mo26 274. RY ( 3) C 4 13.77 2.59 0.169 78. 3C ( 1)C1-C5-Mo26 275. RY ( 4) C 4 0.52 2.25 0.030 78. 3C ( 1)C1-C5-Mo26 277. RY ( 6) C 4 2.91 2.54 0.077 78. 3C ( 1)C1-C5-Mo26 281. RY (10) C 4 4.20 2.31 0.088 78. 3C ( 1)C1-C5-Mo26 282. RY (11) C 4 3.44 2.84 0.088 78. 3C ( 1)C1-C5-Mo26 283. RY (12) C 4 0.54 3.89 0.041 78. 3C ( 1)C1-C5-Mo26 288. RY (17) C 4 1.05 4.82 0.063 78. 3C ( 1)C1-C5-Mo26 324. RY ( 1) C 5 0.65 1.69 0.030 78. 3C ( 1)C1-C5-Mo26 325. RY ( 2) C 5 2.33 2.01 0.061 78. 3C ( 1)C1-C5-Mo26 326. RY ( 3) C 5 16.56 2.66 0.187 78. 3C ( 1)C1-C5-Mo26 332. RY ( 9) C 5 0.69 2.64 0.038 78. 3C ( 1)C1-C5-Mo26 333. RY (10) C 5 2.46 2.12 0.064 78. 3C ( 1)C1-C5-Mo26 334. RY (11) C 5 2.82 2.90 0.081 78. 3C ( 1)C1-C5-Mo26 337. RY (14) C 5 0.51 3.50 0.038 78. 3C ( 1)C1-C5-Mo26 376. RY ( 1) C 6 0.93 1.93 0.038 78. 3C ( 1)C1-C5-Mo26 377. RY ( 2) C 6 4.27 2.04 0.083 78. 3C ( 1)C1-C5-Mo26 378. RY ( 3) C 6 15.38 2.83 0.186 78. 3C ( 1)C1-C5-Mo26 379. RY ( 4) C 6 2.18 2.66 0.068 78. 3C ( 1)C1-C5-Mo26 383. RY ( 8) C 6 1.76 2.86 0.063 78. 3C ( 1)C1-C5-Mo26 384. RY ( 9) C 6 3.84 2.51 0.088 78. 3C ( 1)C1-C5-Mo26 386. RY (11) C 6 0.69 4.70 0.051 78. 3C ( 1)C1-C5-Mo26 387. RY (12) C 6 0.89 4.41 0.056 78. 3C ( 1)C1-C5-Mo26 391. RY (16) C 6 1.39 3.46 0.062 78. 3C ( 1)C1-C5-Mo26 393. RY (18) C 6 0.87 4.48 0.056 78. 3C ( 1)C1-C5-Mo26 395. RY (20) C 6 1.46 4.05 0.069 78. 3C ( 1)C1-C5-Mo26 428. RY ( 1) C 7 0.66 2.02 0.033 78. 3C ( 1)C1-C5-Mo26 429. RY ( 2) C 7 1.00 1.95 0.039 78. 3C ( 1)C1-C5-Mo26 430. RY ( 3) C 7 12.00 2.11 0.142 78. 3C ( 1)C1-C5-Mo26 432. RY ( 5) C 7 3.66 2.48 0.085 78. 3C ( 1)C1-C5-Mo26 435. RY ( 8) C 7 0.53 3.00 0.036 78. 3C ( 1)C1-C5-Mo26 438. RY (11) C 7 0.73 3.27 0.044 78. 3C ( 1)C1-C5-Mo26 439. RY (12) C 7 1.56 2.78 0.059 78. 3C ( 1)C1-C5-Mo26 443. RY (16) C 7 1.86 4.28 0.080 78. 3C ( 1)C1-C5-Mo26 444. RY (17) C 7 0.55 3.33 0.038 78. 3C ( 1)C1-C5-Mo26 482. RY ( 3) C 8 3.61 2.13 0.078 78. 3C ( 1)C1-C5-Mo26 483. RY ( 4) C 8 0.84 2.71 0.043 78. 3C ( 1)C1-C5-Mo26 488. RY ( 9) C 8 0.61 3.61 0.042 78. 3C ( 1)C1-C5-Mo26 490. RY (11) C 8 1.56 3.92 0.070 78. 3C ( 1)C1-C5-Mo26 495. RY (16) C 8 0.67 3.52 0.043 78. 3C ( 1)C1-C5-Mo26 514. RY (35) C 8 0.52 4.05 0.041 78. 3C ( 1)C1-C5-Mo26 534. RY ( 3) C 9 3.66 2.09 0.078 78. 3C ( 1)C1-C5-Mo26 536. RY ( 5) C 9 1.62 2.09 0.052 78. 3C ( 1)C1-C5-Mo26 540. RY ( 9) C 9 0.61 3.58 0.042 78. 3C ( 1)C1-C5-Mo26 541. RY (10) C 9 0.58 3.75 0.041 78. 3C ( 1)C1-C5-Mo26 542. RY (11) C 9 0.98 4.44 0.059 78. 3C ( 1)C1-C5-Mo26 547. RY (16) C 9 0.56 3.58 0.040 78. 3C ( 1)C1-C5-Mo26 584. RY ( 1) C 10 0.66 2.02 0.033 78. 3C ( 1)C1-C5-Mo26 585. RY ( 2) C 10 0.96 1.95 0.038 78. 3C ( 1)C1-C5-Mo26 586. RY ( 3) C 10 6.76 2.22 0.109 78. 3C ( 1)C1-C5-Mo26 588. RY ( 5) C 10 1.67 2.58 0.059 78. 3C ( 1)C1-C5-Mo26 594. RY (11) C 10 1.16 3.31 0.055 78. 3C ( 1)C1-C5-Mo26 595. RY (12) C 10 1.14 2.76 0.050 78. 3C ( 1)C1-C5-Mo26 599. RY (16) C 10 1.85 4.19 0.079 78. 3C ( 1)C1-C5-Mo26 639. RY ( 4) H 11 0.85 3.56 0.049 78. 3C ( 1)C1-C5-Mo26 726. RY ( 4) H 14 0.68 2.89 0.040 78. 3C ( 1)C1-C5-Mo26 754. RY ( 3) H 15 0.55 3.56 0.039 78. 3C ( 1)C1-C5-Mo26 755. RY ( 4) H 15 0.89 2.90 0.045 78. 3C ( 1)C1-C5-Mo26 926. RY ( 1) S 21 3.02 1.28 0.055 78. 3C ( 1)C1-C5-Mo26 927. RY ( 2) S 21 2.17 1.37 0.049 78. 3C ( 1)C1-C5-Mo26 929. RY ( 4) S 21 0.61 1.34 0.025 78. 3C ( 1)C1-C5-Mo26 930. RY ( 5) S 21 4.64 2.36 0.093 78. 3C ( 1)C1-C5-Mo26 931. RY ( 6) S 21 17.77 3.12 0.210 78. 3C ( 1)C1-C5-Mo26 932. RY ( 7) S 21 11.98 2.43 0.152 78. 3C ( 1)C1-C5-Mo26 933. RY ( 8) S 21 0.71 2.12 0.034 78. 3C ( 1)C1-C5-Mo26 934. RY ( 9) S 21 3.08 1.69 0.064 78. 3C ( 1)C1-C5-Mo26 936. RY (11) S 21 6.93 2.26 0.112 78. 3C ( 1)C1-C5-Mo26 941. RY (16) S 21 1.65 2.65 0.059 78. 3C ( 1)C1-C5-Mo26 943. RY (18) S 21 1.17 2.64 0.050 78. 3C ( 1)C1-C5-Mo26 944. RY (19) S 21 1.23 3.99 0.063 78. 3C ( 1)C1-C5-Mo26 994. RY ( 8) S 22 0.53 1.89 0.028 78. 3C ( 1)C1-C5-Mo26 1170. RY ( 1) S 25 1.76 1.27 0.042 78. 3C ( 1)C1-C5-Mo26 1171. RY ( 2) S 25 1.31 1.38 0.038 78. 3C ( 1)C1-C5-Mo26 1174. RY ( 5) S 25 4.26 2.36 0.089 78. 3C ( 1)C1-C5-Mo26 1175. RY ( 6) S 25 13.06 2.98 0.176 78. 3C ( 1)C1-C5-Mo26 1176. RY ( 7) S 25 10.23 2.53 0.144 78. 3C ( 1)C1-C5-Mo26 1178. RY ( 9) S 25 2.19 1.73 0.055 78. 3C ( 1)C1-C5-Mo26 1179. RY (10) S 25 0.61 2.81 0.037 78. 3C ( 1)C1-C5-Mo26 1180. RY (11) S 25 4.84 2.30 0.094 78. 3C ( 1)C1-C5-Mo26 1185. RY (16) S 25 1.31 2.73 0.053 78. 3C ( 1)C1-C5-Mo26 1188. RY (19) S 25 1.00 4.12 0.057 78. 3C ( 1)C1-C5-Mo26 1231. RY ( 1)Mo 26 33.19 3.13 0.288 78. 3C ( 1)C1-C5-Mo26 1232. RY ( 2)Mo 26 2.62 1.55 0.057 78. 3C ( 1)C1-C5-Mo26 1233. RY ( 3)Mo 26 34.53 2.65 0.270 78. 3C ( 1)C1-C5-Mo26 1234. RY ( 4)Mo 26 8.72 1.48 0.102 78. 3C ( 1)C1-C5-Mo26 1235. RY ( 5)Mo 26 26.62 2.66 0.237 78. 3C ( 1)C1-C5-Mo26 1236. RY ( 6)Mo 26 14.74 2.90 0.185 78. 3C ( 1)C1-C5-Mo26 1237. RY ( 7)Mo 26 34.95 5.19 0.380 78. 3C ( 1)C1-C5-Mo26 1239. RY ( 9)Mo 26 39.12 8.75 0.522 78. 3C ( 1)C1-C5-Mo26 1240. RY (10)Mo 26 2.84 2.88 0.081 78. 3C ( 1)C1-C5-Mo26 1242. RY (12)Mo 26 1.98 3.13 0.070 78. 3C ( 1)C1-C5-Mo26 1243. RY (13)Mo 26 1.83 4.83 0.084 78. 3C ( 1)C1-C5-Mo26 1244. RY (14)Mo 26 4.24 3.35 0.106 78. 3C ( 1)C1-C5-Mo26 1245. RY (15)Mo 26 29.26 4.09 0.309 78. 3C ( 1)C1-C5-Mo26 1246. RY (16)Mo 26 1.88 2.42 0.060 78. 3C ( 1)C1-C5-Mo26 1247. RY (17)Mo 26 9.56 3.51 0.163 78. 3C ( 1)C1-C5-Mo26 1249. RY (19)Mo 26 14.69 4.00 0.216 78. 3C ( 1)C1-C5-Mo26 1251. RY (21)Mo 26 2.03 3.01 0.070 78. 3C ( 1)C1-C5-Mo26 1253. RY (23)Mo 26 0.87 2.89 0.045 78. 3C ( 1)C1-C5-Mo26 1255. RY (25)Mo 26 4.71 4.11 0.124 78. 3C ( 1)C1-C5-Mo26 1257. RY (27)Mo 26 2.71 2.53 0.074 78. 3C ( 1)C1-C5-Mo26 1261. RY (31)Mo 26 1.66 4.04 0.073 78. 3C ( 1)C1-C5-Mo26 1263. RY (33)Mo 26 1.29 4.00 0.064 78. 3C ( 1)C1-C5-Mo26 1265. RY (35)Mo 26 0.77 4.45 0.052 78. 3C ( 1)C1-C5-Mo26 1266. RY (36)Mo 26 0.98 3.98 0.056 78. 3C ( 1)C1-C5-Mo26 1268. RY (38)Mo 26 1.55 3.90 0.069 78. 3C ( 1)C1-C5-Mo26 1269. RY (39)Mo 26 10.48 5.09 0.206 78. 3C ( 1)C1-C5-Mo26 1271. RY (41)Mo 26 2.75 5.43 0.109 78. 3C ( 1)C1-C5-Mo26 1272. RY (42)Mo 26 2.10 7.89 0.115 78. 3C ( 1)C1-C5-Mo26 1273. RY (43)Mo 26 4.17 4.36 0.120 78. 3C ( 1)C1-C5-Mo26 1276. RY (46)Mo 26 8.83 7.37 0.228 78. 3C ( 1)C1-C5-Mo26 1277. RY (47)Mo 26 4.25 4.70 0.126 78. 3C ( 1)C1-C5-Mo26 1279. RY (49)Mo 26 10.20 6.31 0.227 78. 3C ( 1)C1-C5-Mo26 1280. RY (50)Mo 26 0.96 6.35 0.070 78. 3C ( 1)C1-C5-Mo26 1281. RY (51)Mo 26 0.70 5.04 0.053 78. 3C ( 1)C1-C5-Mo26 1283. RY (53)Mo 26 1.29 4.85 0.070 78. 3C ( 1)C1-C5-Mo26 1284. RY (54)Mo 26 0.91 3.83 0.053 78. 3C ( 1)C1-C5-Mo26 1285. RY (55)Mo 26 1.67 4.48 0.077 78. 3C ( 1)C1-C5-Mo26 1287. RY (57)Mo 26 1.51 5.36 0.080 78. 3C ( 1)C1-C5-Mo26 1289. RY (59)Mo 26 3.38 27.03 0.270 78. 3C ( 1)C1-C5-Mo26 1291. RY (61)Mo 26 1.07 5.04 0.066 78. 3C ( 1)C1-C5-Mo26 1293. RY (63)Mo 26 0.66 4.45 0.048 78. 3C ( 1)C1-C5-Mo26 1297. RY (67)Mo 26 0.52 5.09 0.046 78. 3C ( 1)C1-C5-Mo26 1298. RY (68)Mo 26 3.71 39.04 0.340 79. 3C ( 1)C2-C3-Mo26 83. BD*( 1) C 1- C 2 3.92 0.77 0.049 79. 3C ( 1)C2-C3-Mo26 85. BD*( 1) C 1- H 11 1.33 0.74 0.028 79. 3C ( 1)C2-C3-Mo26 87. BD*( 1) C 2- H 12 1.35 0.72 0.028 79. 3C ( 1)C2-C3-Mo26 88. BD*( 1) C 3- C 4 3.13 0.79 0.045 79. 3C ( 1)C2-C3-Mo26 89. BD*( 1) C 3- H 13 1.52 0.74 0.030 79. 3C ( 1)C2-C3-Mo26 91. BD*( 1) C 4- H 14 0.87 0.76 0.023 79. 3C ( 1)C2-C3-Mo26 108. BD*( 1) S 25-Mo 26 9.98 0.40 0.056 79. 3C ( 1)C2-C3-Mo26 109. 3Cn( 1)C1-C5-Mo26 36.53 0.38 0.105 79. 3C ( 1)C2-C3-Mo26 110. 3Cn( 1)C2-C3-Mo26 1.33 0.37 0.020 79. 3C ( 1)C2-C3-Mo26 111. 3Cn( 1)C7-C8-Mo26 10.87 0.57 0.070 79. 3C ( 1)C2-C3-Mo26 112. 3C*( 1)C1-C5-Mo26 17.82 0.94 0.115 79. 3C ( 1)C2-C3-Mo26 113. 3C*( 1)C2-C3-Mo26 5.20 0.42 0.042 79. 3C ( 1)C2-C3-Mo26 114. 3C*( 1)C6-C9-C10 0.67 0.40 0.015 79. 3C ( 1)C2-C3-Mo26 115. 3C*( 1)C7-C8-Mo26 3.40 0.40 0.033 79. 3C ( 1)C2-C3-Mo26 118. RY ( 3) C 1 0.90 2.40 0.041 79. 3C ( 1)C2-C3-Mo26 119. RY ( 4) C 1 2.38 2.23 0.065 79. 3C ( 1)C2-C3-Mo26 126. RY (11) C 1 0.52 5.10 0.046 79. 3C ( 1)C2-C3-Mo26 170. RY ( 3) C 2 0.55 2.22 0.031 79. 3C ( 1)C2-C3-Mo26 222. RY ( 3) C 3 1.37 2.34 0.051 79. 3C ( 1)C2-C3-Mo26 228. RY ( 9) C 3 0.66 2.95 0.039 79. 3C ( 1)C2-C3-Mo26 274. RY ( 3) C 4 3.06 2.67 0.081 79. 3C ( 1)C2-C3-Mo26 276. RY ( 5) C 4 1.37 2.94 0.057 79. 3C ( 1)C2-C3-Mo26 277. RY ( 6) C 4 0.76 2.61 0.040 79. 3C ( 1)C2-C3-Mo26 281. RY (10) C 4 0.83 2.38 0.040 79. 3C ( 1)C2-C3-Mo26 282. RY (11) C 4 1.19 2.92 0.053 79. 3C ( 1)C2-C3-Mo26 326. RY ( 3) C 5 6.05 2.74 0.115 79. 3C ( 1)C2-C3-Mo26 333. RY (10) C 5 0.72 2.19 0.035 79. 3C ( 1)C2-C3-Mo26 334. RY (11) C 5 1.12 2.98 0.052 79. 3C ( 1)C2-C3-Mo26 377. RY ( 2) C 6 0.85 2.11 0.038 79. 3C ( 1)C2-C3-Mo26 378. RY ( 3) C 6 1.92 2.90 0.067 79. 3C ( 1)C2-C3-Mo26 383. RY ( 8) C 6 0.68 2.93 0.040 79. 3C ( 1)C2-C3-Mo26 384. RY ( 9) C 6 0.66 2.58 0.037 79. 3C ( 1)C2-C3-Mo26 430. RY ( 3) C 7 1.64 2.19 0.053 79. 3C ( 1)C2-C3-Mo26 432. RY ( 5) C 7 0.62 2.55 0.036 79. 3C ( 1)C2-C3-Mo26 482. RY ( 3) C 8 0.89 2.21 0.039 79. 3C ( 1)C2-C3-Mo26 534. RY ( 3) C 9 0.67 2.16 0.034 79. 3C ( 1)C2-C3-Mo26 586. RY ( 3) C 10 3.09 2.30 0.075 79. 3C ( 1)C2-C3-Mo26 588. RY ( 5) C 10 0.89 2.65 0.043 79. 3C ( 1)C2-C3-Mo26 667. RY ( 3) H 12 0.57 3.32 0.039 79. 3C ( 1)C2-C3-Mo26 697. RY ( 4) H 13 0.57 3.59 0.040 79. 3C ( 1)C2-C3-Mo26 926. RY ( 1) S 21 0.58 1.35 0.025 79. 3C ( 1)C2-C3-Mo26 930. RY ( 5) S 21 0.87 2.43 0.041 79. 3C ( 1)C2-C3-Mo26 931. RY ( 6) S 21 2.50 3.19 0.080 79. 3C ( 1)C2-C3-Mo26 932. RY ( 7) S 21 1.48 2.50 0.054 79. 3C ( 1)C2-C3-Mo26 936. RY (11) S 21 0.76 2.33 0.038 79. 3C ( 1)C2-C3-Mo26 1170. RY ( 1) S 25 0.82 1.35 0.030 79. 3C ( 1)C2-C3-Mo26 1174. RY ( 5) S 25 0.92 2.43 0.042 79. 3C ( 1)C2-C3-Mo26 1175. RY ( 6) S 25 3.08 3.05 0.087 79. 3C ( 1)C2-C3-Mo26 1176. RY ( 7) S 25 1.96 2.60 0.064 79. 3C ( 1)C2-C3-Mo26 1178. RY ( 9) S 25 0.57 1.81 0.029 79. 3C ( 1)C2-C3-Mo26 1180. RY (11) S 25 1.01 2.37 0.044 79. 3C ( 1)C2-C3-Mo26 1231. RY ( 1)Mo 26 9.77 3.20 0.158 79. 3C ( 1)C2-C3-Mo26 1232. RY ( 2)Mo 26 0.99 1.63 0.036 79. 3C ( 1)C2-C3-Mo26 1233. RY ( 3)Mo 26 6.91 2.72 0.122 79. 3C ( 1)C2-C3-Mo26 1234. RY ( 4)Mo 26 5.00 1.56 0.079 79. 3C ( 1)C2-C3-Mo26 1235. RY ( 5)Mo 26 4.11 2.73 0.095 79. 3C ( 1)C2-C3-Mo26 1236. RY ( 6)Mo 26 1.68 2.97 0.063 79. 3C ( 1)C2-C3-Mo26 1237. RY ( 7)Mo 26 9.35 5.26 0.198 79. 3C ( 1)C2-C3-Mo26 1239. RY ( 9)Mo 26 9.60 8.83 0.260 79. 3C ( 1)C2-C3-Mo26 1240. RY (10)Mo 26 0.74 2.95 0.042 79. 3C ( 1)C2-C3-Mo26 1244. RY (14)Mo 26 0.91 3.43 0.050 79. 3C ( 1)C2-C3-Mo26 1245. RY (15)Mo 26 5.36 4.17 0.133 79. 3C ( 1)C2-C3-Mo26 1247. RY (17)Mo 26 1.72 3.58 0.070 79. 3C ( 1)C2-C3-Mo26 1249. RY (19)Mo 26 2.91 4.08 0.097 79. 3C ( 1)C2-C3-Mo26 1255. RY (25)Mo 26 1.23 4.18 0.064 79. 3C ( 1)C2-C3-Mo26 1257. RY (27)Mo 26 0.57 2.61 0.034 79. 3C ( 1)C2-C3-Mo26 1269. RY (39)Mo 26 2.42 5.16 0.100 79. 3C ( 1)C2-C3-Mo26 1271. RY (41)Mo 26 0.59 5.51 0.051 79. 3C ( 1)C2-C3-Mo26 1272. RY (42)Mo 26 0.60 7.97 0.062 79. 3C ( 1)C2-C3-Mo26 1273. RY (43)Mo 26 1.04 4.43 0.061 79. 3C ( 1)C2-C3-Mo26 1276. RY (46)Mo 26 2.01 7.45 0.109 79. 3C ( 1)C2-C3-Mo26 1277. RY (47)Mo 26 0.98 4.77 0.061 79. 3C ( 1)C2-C3-Mo26 1279. RY (49)Mo 26 2.46 6.39 0.112 79. 3C ( 1)C2-C3-Mo26 1289. RY (59)Mo 26 0.90 27.10 0.139 79. 3C ( 1)C2-C3-Mo26 1298. RY (68)Mo 26 0.91 39.11 0.168 80. 3C ( 1)C6-C9-C10 93. BD*( 1) C 6- C 7 2.57 0.75 0.039 80. 3C ( 1)C6-C9-C10 94. BD*( 1) C 6- C 10 0.61 0.75 0.019 80. 3C ( 1)C6-C9-C10 98. BD*( 1) C 8- C 9 1.74 0.75 0.032 80. 3C ( 1)C6-C9-C10 102. BD*( 1) C 10- H 20 0.99 0.73 0.024 80. 3C ( 1)C6-C9-C10 104. BD*( 1) S 21-Mo 26 6.86 0.37 0.045 80. 3C ( 1)C6-C9-C10 108. BD*( 1) S 25-Mo 26 0.78 0.37 0.015 80. 3C ( 1)C6-C9-C10 109. 3Cn( 1)C1-C5-Mo26 6.29 0.36 0.042 80. 3C ( 1)C6-C9-C10 110. 3Cn( 1)C2-C3-Mo26 0.89 0.34 0.016 80. 3C ( 1)C6-C9-C10 111. 3Cn( 1)C7-C8-Mo26 4.49 0.55 0.044 80. 3C ( 1)C6-C9-C10 112. 3C*( 1)C1-C5-Mo26 69.89 0.91 0.226 80. 3C ( 1)C6-C9-C10 113. 3C*( 1)C2-C3-Mo26 1.95 0.40 0.025 80. 3C ( 1)C6-C9-C10 115. 3C*( 1)C7-C8-Mo26 2.06 0.37 0.025 80. 3C ( 1)C6-C9-C10 118. RY ( 3) C 1 1.17 2.38 0.047 80. 3C ( 1)C6-C9-C10 119. RY ( 4) C 1 0.65 2.20 0.034 80. 3C ( 1)C6-C9-C10 222. RY ( 3) C 3 0.81 2.32 0.039 80. 3C ( 1)C6-C9-C10 274. RY ( 3) C 4 3.06 2.64 0.080 80. 3C ( 1)C6-C9-C10 281. RY (10) C 4 0.65 2.36 0.035 80. 3C ( 1)C6-C9-C10 325. RY ( 2) C 5 0.61 2.07 0.032 80. 3C ( 1)C6-C9-C10 326. RY ( 3) C 5 5.72 2.71 0.111 80. 3C ( 1)C6-C9-C10 333. RY (10) C 5 0.74 2.17 0.036 80. 3C ( 1)C6-C9-C10 334. RY (11) C 5 0.99 2.95 0.048 80. 3C ( 1)C6-C9-C10 377. RY ( 2) C 6 1.38 2.09 0.048 80. 3C ( 1)C6-C9-C10 378. RY ( 3) C 6 3.99 2.88 0.096 80. 3C ( 1)C6-C9-C10 383. RY ( 8) C 6 0.97 2.91 0.047 80. 3C ( 1)C6-C9-C10 384. RY ( 9) C 6 1.37 2.56 0.053 80. 3C ( 1)C6-C9-C10 428. RY ( 1) C 7 0.55 2.07 0.030 80. 3C ( 1)C6-C9-C10 430. RY ( 3) C 7 1.79 2.16 0.056 80. 3C ( 1)C6-C9-C10 443. RY (16) C 7 0.66 4.34 0.048 80. 3C ( 1)C6-C9-C10 482. RY ( 3) C 8 0.93 2.18 0.040 80. 3C ( 1)C6-C9-C10 534. RY ( 3) C 9 0.50 2.14 0.029 80. 3C ( 1)C6-C9-C10 536. RY ( 5) C 9 1.26 2.14 0.046 80. 3C ( 1)C6-C9-C10 542. RY (11) C 9 0.78 4.49 0.053 80. 3C ( 1)C6-C9-C10 586. RY ( 3) C 10 1.83 2.27 0.058 80. 3C ( 1)C6-C9-C10 588. RY ( 5) C 10 1.44 2.63 0.055 80. 3C ( 1)C6-C9-C10 595. RY (12) C 10 0.58 2.81 0.036 80. 3C ( 1)C6-C9-C10 930. RY ( 5) S 21 0.63 2.41 0.035 80. 3C ( 1)C6-C9-C10 931. RY ( 6) S 21 2.84 3.17 0.085 80. 3C ( 1)C6-C9-C10 932. RY ( 7) S 21 2.16 2.48 0.065 80. 3C ( 1)C6-C9-C10 936. RY (11) S 21 1.05 2.31 0.044 80. 3C ( 1)C6-C9-C10 1174. RY ( 5) S 25 0.72 2.41 0.037 80. 3C ( 1)C6-C9-C10 1175. RY ( 6) S 25 2.54 3.03 0.078 80. 3C ( 1)C6-C9-C10 1176. RY ( 7) S 25 2.47 2.58 0.071 80. 3C ( 1)C6-C9-C10 1180. RY (11) S 25 1.15 2.35 0.046 80. 3C ( 1)C6-C9-C10 1185. RY (16) S 25 0.51 2.78 0.034 80. 3C ( 1)C6-C9-C10 1231. RY ( 1)Mo 26 8.36 3.18 0.145 80. 3C ( 1)C6-C9-C10 1232. RY ( 2)Mo 26 2.24 1.61 0.054 80. 3C ( 1)C6-C9-C10 1233. RY ( 3)Mo 26 10.31 2.70 0.149 80. 3C ( 1)C6-C9-C10 1234. RY ( 4)Mo 26 3.01 1.53 0.061 80. 3C ( 1)C6-C9-C10 1235. RY ( 5)Mo 26 3.90 2.71 0.092 80. 3C ( 1)C6-C9-C10 1237. RY ( 7)Mo 26 9.59 5.24 0.200 80. 3C ( 1)C6-C9-C10 1238. RY ( 8)Mo 26 0.89 1.93 0.037 80. 3C ( 1)C6-C9-C10 1239. RY ( 9)Mo 26 10.30 8.80 0.269 80. 3C ( 1)C6-C9-C10 1241. RY (11)Mo 26 1.17 5.06 0.069 80. 3C ( 1)C6-C9-C10 1242. RY (12)Mo 26 0.99 3.18 0.050 80. 3C ( 1)C6-C9-C10 1243. RY (13)Mo 26 1.15 4.88 0.067 80. 3C ( 1)C6-C9-C10 1244. RY (14)Mo 26 1.90 3.40 0.072 80. 3C ( 1)C6-C9-C10 1245. RY (15)Mo 26 7.17 4.14 0.154 80. 3C ( 1)C6-C9-C10 1246. RY (16)Mo 26 0.80 2.47 0.040 80. 3C ( 1)C6-C9-C10 1247. RY (17)Mo 26 3.38 3.56 0.098 80. 3C ( 1)C6-C9-C10 1249. RY (19)Mo 26 2.84 4.05 0.096 80. 3C ( 1)C6-C9-C10 1251. RY (21)Mo 26 0.69 3.06 0.041 80. 3C ( 1)C6-C9-C10 1255. RY (25)Mo 26 0.80 4.16 0.051 80. 3C ( 1)C6-C9-C10 1257. RY (27)Mo 26 0.91 2.58 0.043 80. 3C ( 1)C6-C9-C10 1261. RY (31)Mo 26 0.78 4.09 0.050 80. 3C ( 1)C6-C9-C10 1269. RY (39)Mo 26 2.63 5.14 0.104 80. 3C ( 1)C6-C9-C10 1273. RY (43)Mo 26 1.75 4.41 0.078 80. 3C ( 1)C6-C9-C10 1276. RY (46)Mo 26 2.32 7.42 0.117 80. 3C ( 1)C6-C9-C10 1277. RY (47)Mo 26 0.78 4.75 0.054 80. 3C ( 1)C6-C9-C10 1279. RY (49)Mo 26 2.11 6.37 0.104 80. 3C ( 1)C6-C9-C10 1289. RY (59)Mo 26 0.82 27.08 0.133 80. 3C ( 1)C6-C9-C10 1298. RY (68)Mo 26 1.04 39.09 0.180 81. 3C ( 1)C7-C8-Mo26 93. BD*( 1) C 6- C 7 3.87 0.75 0.048 81. 3C ( 1)C7-C8-Mo26 95. BD*( 1) C 6- H 16 1.18 0.73 0.026 81. 3C ( 1)C7-C8-Mo26 97. BD*( 1) C 7- H 17 1.24 0.72 0.027 81. 3C ( 1)C7-C8-Mo26 98. BD*( 1) C 8- C 9 2.45 0.75 0.038 81. 3C ( 1)C7-C8-Mo26 99. BD*( 1) C 8- H 18 0.90 0.70 0.022 81. 3C ( 1)C7-C8-Mo26 101. BD*( 1) C 9- H 19 0.68 0.69 0.019 81. 3C ( 1)C7-C8-Mo26 103. BD*( 1) S 21- S 22 1.38 0.43 0.022 81. 3C ( 1)C7-C8-Mo26 104. BD*( 1) S 21-Mo 26 39.82 0.37 0.108 81. 3C ( 1)C7-C8-Mo26 108. BD*( 1) S 25-Mo 26 5.12 0.37 0.039 81. 3C ( 1)C7-C8-Mo26 109. 3Cn( 1)C1-C5-Mo26 3.58 0.35 0.032 81. 3C ( 1)C7-C8-Mo26 110. 3Cn( 1)C2-C3-Mo26 13.35 0.34 0.060 81. 3C ( 1)C7-C8-Mo26 111. 3Cn( 1)C7-C8-Mo26 18.95 0.54 0.091 81. 3C ( 1)C7-C8-Mo26 112. 3C*( 1)C1-C5-Mo26 42.62 0.91 0.176 81. 3C ( 1)C7-C8-Mo26 113. 3C*( 1)C2-C3-Mo26 23.24 0.39 0.085 81. 3C ( 1)C7-C8-Mo26 114. 3C*( 1)C6-C9-C10 36.29 0.37 0.103 81. 3C ( 1)C7-C8-Mo26 115. 3C*( 1)C7-C8-Mo26 4.25 0.37 0.035 81. 3C ( 1)C7-C8-Mo26 118. RY ( 3) C 1 6.46 2.37 0.110 81. 3C ( 1)C7-C8-Mo26 119. RY ( 4) C 1 1.45 2.20 0.050 81. 3C ( 1)C7-C8-Mo26 123. RY ( 8) C 1 0.70 2.80 0.040 81. 3C ( 1)C7-C8-Mo26 124. RY ( 9) C 1 0.79 2.88 0.043 81. 3C ( 1)C7-C8-Mo26 126. RY (11) C 1 0.94 5.08 0.062 81. 3C ( 1)C7-C8-Mo26 131. RY (16) C 1 0.69 3.59 0.044 81. 3C ( 1)C7-C8-Mo26 168. RY ( 1) C 2 0.72 2.21 0.036 81. 3C ( 1)C7-C8-Mo26 170. RY ( 3) C 2 0.93 2.19 0.040 81. 3C ( 1)C7-C8-Mo26 172. RY ( 5) C 2 1.27 2.36 0.049 81. 3C ( 1)C7-C8-Mo26 175. RY ( 8) C 2 0.58 3.45 0.040 81. 3C ( 1)C7-C8-Mo26 181. RY (14) C 2 0.92 4.59 0.058 81. 3C ( 1)C7-C8-Mo26 182. RY (15) C 2 0.58 4.02 0.043 81. 3C ( 1)C7-C8-Mo26 222. RY ( 3) C 3 3.47 2.31 0.080 81. 3C ( 1)C7-C8-Mo26 223. RY ( 4) C 3 0.72 2.83 0.040 81. 3C ( 1)C7-C8-Mo26 224. RY ( 5) C 3 0.63 2.86 0.038 81. 3C ( 1)C7-C8-Mo26 227. RY ( 8) C 3 0.93 2.84 0.046 81. 3C ( 1)C7-C8-Mo26 228. RY ( 9) C 3 0.93 2.92 0.046 81. 3C ( 1)C7-C8-Mo26 272. RY ( 1) C 4 0.62 1.77 0.030 81. 3C ( 1)C7-C8-Mo26 273. RY ( 2) C 4 0.77 2.02 0.035 81. 3C ( 1)C7-C8-Mo26 274. RY ( 3) C 4 4.09 2.64 0.093 81. 3C ( 1)C7-C8-Mo26 281. RY (10) C 4 2.04 2.35 0.062 81. 3C ( 1)C7-C8-Mo26 282. RY (11) C 4 1.34 2.89 0.056 81. 3C ( 1)C7-C8-Mo26 324. RY ( 1) C 5 0.66 1.73 0.030 81. 3C ( 1)C7-C8-Mo26 325. RY ( 2) C 5 1.02 2.06 0.041 81. 3C ( 1)C7-C8-Mo26 326. RY ( 3) C 5 8.82 2.71 0.138 81. 3C ( 1)C7-C8-Mo26 329. RY ( 6) C 5 0.72 2.46 0.038 81. 3C ( 1)C7-C8-Mo26 333. RY (10) C 5 1.77 2.16 0.055 81. 3C ( 1)C7-C8-Mo26 334. RY (11) C 5 2.47 2.95 0.076 81. 3C ( 1)C7-C8-Mo26 376. RY ( 1) C 6 0.69 1.98 0.033 81. 3C ( 1)C7-C8-Mo26 377. RY ( 2) C 6 1.99 2.08 0.057 81. 3C ( 1)C7-C8-Mo26 378. RY ( 3) C 6 8.50 2.87 0.139 81. 3C ( 1)C7-C8-Mo26 379. RY ( 4) C 6 2.54 2.71 0.074 81. 3C ( 1)C7-C8-Mo26 380. RY ( 5) C 6 1.81 2.28 0.057 81. 3C ( 1)C7-C8-Mo26 383. RY ( 8) C 6 1.23 2.90 0.053 81. 3C ( 1)C7-C8-Mo26 384. RY ( 9) C 6 2.27 2.55 0.068 81. 3C ( 1)C7-C8-Mo26 386. RY (11) C 6 0.72 4.74 0.052 81. 3C ( 1)C7-C8-Mo26 391. RY (16) C 6 0.79 3.50 0.047 81. 3C ( 1)C7-C8-Mo26 393. RY (18) C 6 0.69 4.53 0.050 81. 3C ( 1)C7-C8-Mo26 395. RY (20) C 6 1.17 4.10 0.062 81. 3C ( 1)C7-C8-Mo26 428. RY ( 1) C 7 0.53 2.06 0.030 81. 3C ( 1)C7-C8-Mo26 430. RY ( 3) C 7 4.65 2.16 0.089 81. 3C ( 1)C7-C8-Mo26 432. RY ( 5) C 7 0.65 2.53 0.036 81. 3C ( 1)C7-C8-Mo26 439. RY (12) C 7 0.94 2.83 0.046 81. 3C ( 1)C7-C8-Mo26 443. RY (16) C 7 1.02 4.33 0.059 81. 3C ( 1)C7-C8-Mo26 482. RY ( 3) C 8 1.79 2.18 0.056 81. 3C ( 1)C7-C8-Mo26 495. RY (16) C 8 0.62 3.56 0.042 81. 3C ( 1)C7-C8-Mo26 534. RY ( 3) C 9 0.79 2.14 0.037 81. 3C ( 1)C7-C8-Mo26 536. RY ( 5) C 9 2.21 2.13 0.061 81. 3C ( 1)C7-C8-Mo26 542. RY (11) C 9 1.04 4.49 0.061 81. 3C ( 1)C7-C8-Mo26 586. RY ( 3) C 10 6.77 2.27 0.111 81. 3C ( 1)C7-C8-Mo26 588. RY ( 5) C 10 1.30 2.62 0.052 81. 3C ( 1)C7-C8-Mo26 594. RY (11) C 10 0.82 3.36 0.047 81. 3C ( 1)C7-C8-Mo26 595. RY (12) C 10 0.70 2.81 0.040 81. 3C ( 1)C7-C8-Mo26 599. RY (16) C 10 0.84 4.24 0.053 81. 3C ( 1)C7-C8-Mo26 812. RY ( 3) H 17 0.54 3.34 0.038 81. 3C ( 1)C7-C8-Mo26 841. RY ( 3) H 18 0.51 3.21 0.036 81. 3C ( 1)C7-C8-Mo26 926. RY ( 1) S 21 2.06 1.32 0.047 81. 3C ( 1)C7-C8-Mo26 927. RY ( 2) S 21 0.94 1.42 0.033 81. 3C ( 1)C7-C8-Mo26 930. RY ( 5) S 21 2.43 2.41 0.068 81. 3C ( 1)C7-C8-Mo26 931. RY ( 6) S 21 9.41 3.17 0.154 81. 3C ( 1)C7-C8-Mo26 932. RY ( 7) S 21 5.44 2.47 0.103 81. 3C ( 1)C7-C8-Mo26 934. RY ( 9) S 21 1.68 1.73 0.048 81. 3C ( 1)C7-C8-Mo26 936. RY (11) S 21 3.50 2.30 0.080 81. 3C ( 1)C7-C8-Mo26 941. RY (16) S 21 0.64 2.69 0.037 81. 3C ( 1)C7-C8-Mo26 943. RY (18) S 21 0.65 2.69 0.037 81. 3C ( 1)C7-C8-Mo26 944. RY (19) S 21 0.81 4.04 0.051 81. 3C ( 1)C7-C8-Mo26 1170. RY ( 1) S 25 0.75 1.32 0.028 81. 3C ( 1)C7-C8-Mo26 1174. RY ( 5) S 25 1.75 2.40 0.058 81. 3C ( 1)C7-C8-Mo26 1175. RY ( 6) S 25 6.63 3.02 0.126 81. 3C ( 1)C7-C8-Mo26 1176. RY ( 7) S 25 4.56 2.58 0.097 81. 3C ( 1)C7-C8-Mo26 1178. RY ( 9) S 25 0.84 1.78 0.035 81. 3C ( 1)C7-C8-Mo26 1180. RY (11) S 25 2.28 2.34 0.065 81. 3C ( 1)C7-C8-Mo26 1185. RY (16) S 25 0.70 2.78 0.039 81. 3C ( 1)C7-C8-Mo26 1231. RY ( 1)Mo 26 21.49 3.17 0.233 81. 3C ( 1)C7-C8-Mo26 1233. RY ( 3)Mo 26 19.02 2.69 0.202 81. 3C ( 1)C7-C8-Mo26 1234. RY ( 4)Mo 26 3.67 1.53 0.067 81. 3C ( 1)C7-C8-Mo26 1235. RY ( 5)Mo 26 13.48 2.70 0.170 81. 3C ( 1)C7-C8-Mo26 1236. RY ( 6)Mo 26 8.18 2.95 0.139 81. 3C ( 1)C7-C8-Mo26 1237. RY ( 7)Mo 26 18.32 5.24 0.276 81. 3C ( 1)C7-C8-Mo26 1238. RY ( 8)Mo 26 1.15 1.92 0.042 81. 3C ( 1)C7-C8-Mo26 1239. RY ( 9)Mo 26 20.92 8.80 0.383 81. 3C ( 1)C7-C8-Mo26 1240. RY (10)Mo 26 1.13 2.92 0.051 81. 3C ( 1)C7-C8-Mo26 1242. RY (12)Mo 26 0.81 3.18 0.045 81. 3C ( 1)C7-C8-Mo26 1243. RY (13)Mo 26 0.96 4.87 0.061 81. 3C ( 1)C7-C8-Mo26 1244. RY (14)Mo 26 2.51 3.40 0.082 81. 3C ( 1)C7-C8-Mo26 1245. RY (15)Mo 26 14.67 4.14 0.220 81. 3C ( 1)C7-C8-Mo26 1246. RY (16)Mo 26 1.14 2.47 0.047 81. 3C ( 1)C7-C8-Mo26 1247. RY (17)Mo 26 4.47 3.56 0.113 81. 3C ( 1)C7-C8-Mo26 1249. RY (19)Mo 26 7.43 4.05 0.155 81. 3C ( 1)C7-C8-Mo26 1251. RY (21)Mo 26 1.00 3.06 0.049 81. 3C ( 1)C7-C8-Mo26 1255. RY (25)Mo 26 2.52 4.16 0.091 81. 3C ( 1)C7-C8-Mo26 1257. RY (27)Mo 26 1.77 2.58 0.060 81. 3C ( 1)C7-C8-Mo26 1261. RY (31)Mo 26 1.03 4.08 0.058 81. 3C ( 1)C7-C8-Mo26 1263. RY (33)Mo 26 0.75 4.05 0.049 81. 3C ( 1)C7-C8-Mo26 1265. RY (35)Mo 26 0.52 4.50 0.043 81. 3C ( 1)C7-C8-Mo26 1268. RY (38)Mo 26 0.93 3.95 0.054 81. 3C ( 1)C7-C8-Mo26 1269. RY (39)Mo 26 5.15 5.13 0.145 81. 3C ( 1)C7-C8-Mo26 1271. RY (41)Mo 26 1.46 5.48 0.080 81. 3C ( 1)C7-C8-Mo26 1272. RY (42)Mo 26 1.18 7.94 0.086 81. 3C ( 1)C7-C8-Mo26 1273. RY (43)Mo 26 2.35 4.40 0.091 81. 3C ( 1)C7-C8-Mo26 1276. RY (46)Mo 26 5.00 7.42 0.172 81. 3C ( 1)C7-C8-Mo26 1277. RY (47)Mo 26 2.08 4.74 0.089 81. 3C ( 1)C7-C8-Mo26 1279. RY (49)Mo 26 5.06 6.36 0.160 81. 3C ( 1)C7-C8-Mo26 1283. RY (53)Mo 26 0.69 4.89 0.052 81. 3C ( 1)C7-C8-Mo26 1284. RY (54)Mo 26 0.57 3.87 0.042 81. 3C ( 1)C7-C8-Mo26 1285. RY (55)Mo 26 0.62 4.53 0.047 81. 3C ( 1)C7-C8-Mo26 1287. RY (57)Mo 26 0.60 5.40 0.051 81. 3C ( 1)C7-C8-Mo26 1289. RY (59)Mo 26 1.94 27.07 0.205 81. 3C ( 1)C7-C8-Mo26 1298. RY (68)Mo 26 2.04 39.09 0.252 82. 3Cn( 1)C6-C9-C10 93. BD*( 1) C 6- C 7 6.04 0.56 0.052 82. 3Cn( 1)C6-C9-C10 94. BD*( 1) C 6- C 10 6.49 0.56 0.054 82. 3Cn( 1)C6-C9-C10 97. BD*( 1) C 7- H 17 1.63 0.53 0.026 82. 3Cn( 1)C6-C9-C10 98. BD*( 1) C 8- C 9 2.55 0.56 0.034 82. 3Cn( 1)C6-C9-C10 99. BD*( 1) C 8- H 18 0.77 0.51 0.018 82. 3Cn( 1)C6-C9-C10 100. BD*( 1) C 9- C 10 4.05 0.59 0.044 82. 3Cn( 1)C6-C9-C10 104. BD*( 1) S 21-Mo 26 29.19 0.18 0.065 82. 3Cn( 1)C6-C9-C10 108. BD*( 1) S 25-Mo 26 1.58 0.18 0.015 82. 3Cn( 1)C6-C9-C10 109. 3Cn( 1)C1-C5-Mo26 4.14 0.17 0.023 82. 3Cn( 1)C6-C9-C10 110. 3Cn( 1)C2-C3-Mo26 24.79 0.15 0.055 82. 3Cn( 1)C6-C9-C10 111. 3Cn( 1)C7-C8-Mo26 13.06 0.36 0.061 82. 3Cn( 1)C6-C9-C10 112. 3C*( 1)C1-C5-Mo26 6.39 0.72 0.061 82. 3Cn( 1)C6-C9-C10 113. 3C*( 1)C2-C3-Mo26 62.35 0.20 0.101 82. 3Cn( 1)C6-C9-C10 114. 3C*( 1)C6-C9-C10 2.07 0.18 0.017 82. 3Cn( 1)C6-C9-C10 115. 3C*( 1)C7-C8-Mo26 82.87 0.18 0.109 82. 3Cn( 1)C6-C9-C10 376. RY ( 1) C 6 1.97 1.79 0.053 82. 3Cn( 1)C6-C9-C10 377. RY ( 2) C 6 1.24 1.89 0.043 82. 3Cn( 1)C6-C9-C10 378. RY ( 3) C 6 1.16 2.69 0.050 82. 3Cn( 1)C6-C9-C10 379. RY ( 4) C 6 2.53 2.52 0.071 82. 3Cn( 1)C6-C9-C10 380. RY ( 5) C 6 0.61 2.09 0.032 82. 3Cn( 1)C6-C9-C10 383. RY ( 8) C 6 1.99 2.72 0.066 82. 3Cn( 1)C6-C9-C10 384. RY ( 9) C 6 1.12 2.37 0.046 82. 3Cn( 1)C6-C9-C10 389. RY (14) C 6 0.95 3.79 0.053 82. 3Cn( 1)C6-C9-C10 395. RY (20) C 6 0.75 3.91 0.048 82. 3Cn( 1)C6-C9-C10 430. RY ( 3) C 7 1.63 1.97 0.051 82. 3Cn( 1)C6-C9-C10 432. RY ( 5) C 7 0.55 2.34 0.032 82. 3Cn( 1)C6-C9-C10 480. RY ( 1) C 8 0.67 1.84 0.031 82. 3Cn( 1)C6-C9-C10 483. RY ( 4) C 8 0.67 2.57 0.037 82. 3Cn( 1)C6-C9-C10 534. RY ( 3) C 9 0.63 1.95 0.031 82. 3Cn( 1)C6-C9-C10 535. RY ( 4) C 9 0.97 3.16 0.050 82. 3Cn( 1)C6-C9-C10 536. RY ( 5) C 9 0.73 1.95 0.034 82. 3Cn( 1)C6-C9-C10 587. RY ( 4) C 10 3.37 2.93 0.089 82. 3Cn( 1)C6-C9-C10 588. RY ( 5) C 10 1.27 2.44 0.050 82. 3Cn( 1)C6-C9-C10 591. RY ( 8) C 10 0.59 2.86 0.037 82. 3Cn( 1)C6-C9-C10 600. RY (17) C 10 1.28 3.26 0.058 82. 3Cn( 1)C6-C9-C10 783. RY ( 3) H 16 0.54 2.99 0.036 82. 3Cn( 1)C6-C9-C10 784. RY ( 4) H 16 0.68 2.76 0.039 82. 3Cn( 1)C6-C9-C10 786. RY ( 6) H 16 0.61 5.73 0.053 82. 3Cn( 1)C6-C9-C10 1231. RY ( 1)Mo 26 1.27 2.99 0.055 82. 3Cn( 1)C6-C9-C10 1234. RY ( 4)Mo 26 1.19 1.34 0.036 82. 3Cn( 1)C6-C9-C10 1235. RY ( 5)Mo 26 0.98 2.52 0.044 82. 3Cn( 1)C6-C9-C10 1237. RY ( 7)Mo 26 1.37 5.05 0.074 82. 3Cn( 1)C6-C9-C10 1239. RY ( 9)Mo 26 0.50 8.61 0.059 82. 3Cn( 1)C6-C9-C10 1245. RY (15)Mo 26 0.99 3.95 0.056 82. 3Cn( 1)C6-C9-C10 1247. RY (17)Mo 26 0.67 3.37 0.042 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C10H10S5Mo) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 1.99997 -10.22783 2. CR ( 1) C 2 1.99997 -10.23794 3. CR ( 1) C 3 1.99997 -10.22906 4. CR ( 1) C 4 1.99997 -10.23041 5. CR ( 1) C 5 1.99997 -10.22915 6. CR ( 1) C 6 1.99997 -10.22195 7. CR ( 1) C 7 1.99997 -10.23337 8. CR ( 1) C 8 1.99997 -10.24445 9. CR ( 1) C 9 1.99997 -10.24465 10. CR ( 1) C 10 1.99997 -10.23354 11. CR ( 1) S 21 2.00000 -87.61916 12. CR ( 2) S 21 2.00000 -8.90347 13. CR ( 3) S 21 2.00000 -5.85264 14. CR ( 4) S 21 1.99999 -5.84680 15. CR ( 5) S 21 1.99999 -5.84326 16. CR ( 1) S 22 2.00000 -87.90032 17. CR ( 2) S 22 2.00000 -8.69806 18. CR ( 3) S 22 1.99999 -5.88765 19. CR ( 4) S 22 1.99999 -5.88258 20. CR ( 5) S 22 1.99999 -5.88331 21. CR ( 1) S 23 2.00000 -87.97387 22. CR ( 2) S 23 2.00000 -8.62430 23. CR ( 3) S 23 1.99999 -5.88189 24. CR ( 4) S 23 1.99999 -5.88981 25. CR ( 5) S 23 1.99999 -5.88235 26. CR ( 1) S 24 2.00000 -87.89816 27. CR ( 2) S 24 2.00000 -8.70119 28. CR ( 3) S 24 1.99999 -5.88810 29. CR ( 4) S 24 1.99999 -5.88595 30. CR ( 5) S 24 1.99999 -5.88090 31. CR ( 1) S 25 2.00000 -87.60963 32. CR ( 2) S 25 2.00000 -8.91418 33. CR ( 3) S 25 2.00000 -5.85318 34. CR ( 4) S 25 1.99999 -5.84566 35. CR ( 5) S 25 1.99999 -5.84568 36. CR ( 1)Mo 26 1.99992 -2.60298 37. CR ( 2)Mo 26 1.99982 -1.58888 38. CR ( 3)Mo 26 1.99984 -1.57381 39. CR ( 4)Mo 26 1.99974 -1.60527 40. LP ( 1) C 4 0.90601 -0.13409 109(v),110(v),111(r),115(r) 113(v),90(g),88(g),277(g) 1237(r),104(r),1231(r) 1239(r),1233(r),326(v) 282(g),224(v),89(v),1234(r) 329(v),1235(r),1249(r) 281(g),1245(r),378(r) 228(v),725(v),283(g),327(v) 92(v),222(v),1175(r),287(g) 723(v),1279(r),1240(r) 931(r),223(v),273(g),341(v) 331(v),230(v),284(g) 1176(r),114(r),286(g) 1257(r) 41. LP ( 1) S 21 1.96877 -0.46531 113(v),112(v),110(v),111(v) 1234(v),1239(v),1249(v) 104(g) 42. LP ( 2) S 21 1.88200 -0.21439 105(v),987(v),113(v) 1232(v) 43. LP ( 1) S 22 1.99205 -0.49377 44. LP ( 2) S 22 1.88072 -0.24082 106(v),104(v),1048(v) 926(v),992(g),92(r),991(g) 45. LP ( 1) S 23 1.99540 -0.50693 46. LP ( 2) S 23 1.89588 -0.24317 107(v),103(v),1109(v) 987(v),988(v),1110(v) 1052(g) 47. LP ( 1) S 24 1.99245 -0.49439 48. LP ( 2) S 24 1.88126 -0.24123 105(v),108(v),1048(v) 1170(v),1114(g),1113(g) 49. LP ( 1) S 25 1.96919 -0.46666 112(v),113(v),109(v),111(v) 1234(v),1239(v),1249(v) 108(g) 50. LP ( 2) S 25 1.88014 -0.21417 106(v),1109(v),111(v) 113(v),115(v),1232(v) 51. LP ( 1)Mo 26 1.71479 -0.17376 114(r),110(g),115(g),113(g) 109(g),107(v),103(v),926(v) 1170(v),170(v) 52. BD ( 1) C 1- C 2 1.96604 -0.56009 110(g),109(g),92(v),325(v) 112(g),89(v),220(v),108(v) 1232(v),221(v),111(v) 665(v),636(v),88(v) 53. BD ( 1) C 1- C 5 1.96140 -0.56464 87(v),91(v),272(v),112(g) 169(v),104(v),275(v),636(v) 755(v),168(v) 54. BD ( 1) C 1- H 11 1.98005 -0.50082 108(v),86(v),90(v),168(v) 112(g),324(v),325(v),330(v) 109(g),173(v) 55. BD ( 1) C 2- C 3 1.96633 -0.56136 273(v),91(v),116(v),85(v) 1232(v),104(v),113(g) 110(g),117(v),665(v),695(v) 666(v),84(v) 56. BD ( 1) C 2- H 12 1.98132 -0.51299 108(v),104(v),88(v),84(v) 110(g),220(v),116(v),226(v) 122(v),117(v) 57. BD ( 1) C 3- C 4 1.96366 -0.56915 111(v),113(g),324(v),87(v) 92(v),115(v),169(v),108(v) 110(g),168(v),694(v),726(v) 725(v) 58. BD ( 1) C 3- H 13 1.97999 -0.50268 104(v),83(v),90(v),168(v) 272(v),113(g),278(v),111(v) 173(v),273(v) 59. BD ( 1) C 4- C 5 1.97407 -0.57517 109(g),221(v),111(v),117(v) 89(v),85(v),104(v),108(v) 115(v),724(v),753(v) 60. BD ( 1) C 4- H 14 1.98041 -0.49476 84(v),111(r),86(v),220(v) 325(v),324(v),230(v),225(v) 61. BD ( 1) C 5- H 15 1.98002 -0.49336 88(v),83(v),116(v),109(g) 273(v),272(v),126(v),121(v) 62. BD ( 1) C 6- C 7 1.96211 -0.55799 111(g),99(v),114(g),585(v) 102(v),481(v),113(v),108(v) 110(v),104(v),112(v),115(g) 480(v),811(v),783(v),98(v) 63. BD ( 1) C 6- C 10 1.96190 -0.55801 112(r),101(v),429(v),97(v) 104(r),533(v),108(r),532(v) 898(v),783(v),109(r),98(v) 64. BD ( 1) C 6- H 16 1.97713 -0.48805 113(r),96(v),100(v),584(v) 428(v),110(r),114(g),434(v) 112(r),590(v) 65. BD ( 1) C 7- C 8 1.96936 -0.58352 533(v),101(v),377(v),95(v) 111(g),104(v),839(v) 1238(v),810(v),108(v) 66. BD ( 1) C 7- H 17 1.97775 -0.50216 98(v),94(v),480(v),111(g) 376(v),486(v),103(r),110(v) 381(v) 67. BD ( 1) C 8- C 9 1.97329 -0.58224 115(g),428(v),584(v),97(v) 102(v),113(v),114(g),112(v) 839(v),108(v),868(v),104(v) 585(v),429(v),111(g),110(v) 68. BD ( 1) C 8- H 18 1.98051 -0.51709 108(v),93(v),100(v),532(v) 429(v),428(v),115(g) 69. BD ( 1) C 9- C 10 1.96927 -0.58305 112(r),99(v),481(v),95(v) 113(r),376(v),110(r),108(r) 377(v),868(v),480(v),111(v) 378(v),104(r),897(v) 70. BD ( 1) C 9- H 19 1.98053 -0.51718 104(r),94(v),96(v),480(v) 584(v),585(v) 71. BD ( 1) C 10- H 20 1.97786 -0.50238 98(v),93(v),112(r),532(v) 114(g),376(v),538(v),107(r) 381(v) 72. BD ( 1) S 21- S 22 1.98361 -0.50097 1050(v),1231(v) 73. BD ( 1) S 21-Mo 26 1.95330 -0.33568 112(g),108(g),1237(g) 111(g),1235(g),274(r) 113(g),1239(g),1245(g) 1234(g),378(r),104(g) 326(v),1175(v),1233(g) 118(v),1231(g),1249(g) 1176(v),115(g),430(v) 586(r),931(g),1279(g) 1269(g),377(r),110(g) 1180(v),1247(g),989(v) 1276(g),1174(v),379(r) 1236(g),932(g),1178(v) 114(r),482(v),325(v) 1255(g),1171(v),384(r) 334(v),1232(g),103(g) 988(v),1273(g),333(v) 74. BD ( 1) S 22- S 23 1.98702 -0.49540 927(v),1112(v),928(v) 1114(v),103(g),106(g) 75. BD ( 1) S 23- S 24 1.98712 -0.49586 1171(v),990(v),1172(v) 992(v),107(g),105(g),989(v) 76. BD ( 1) S 24- S 25 1.98364 -0.50118 1231(v),1050(v),1237(v) 77. BD ( 1) S 25-Mo 26 1.95334 -0.33674 111(g),104(g),1237(g) 113(g),112(g),1233(g) 326(v),1235(g),1239(g) 1245(g),378(r),109(g) 931(v),108(g),1231(g) 274(r),222(v),1249(g) 932(v),586(r),430(v) 1175(g),1279(g),1269(g) 1111(v),936(v),1247(g) 1276(g),1236(g),930(v) 1176(g),534(r),377(r) 384(r),273(r),1255(g) 934(v),281(r),927(v) 1273(g),379(r),107(g) 78. 3C ( 1) C 1- C 5-Mo 26 1.72271 -0.27965 113(g),104(g),111(g),112(g) 108(g),1239(g),1237(g) 1233(g),1231(g),1245(g) 1235(g),931(v),326(g) 115(g),378(r),1236(g) 1249(g),274(v),1175(v) 430(v),932(v),1269(g) 1176(v),1279(g),1247(g) 118(g),1276(g),1234(g) 222(v),936(v),586(r),109(g) 172(v),1180(v),1255(g) 930(v),377(r),1174(v) 1277(g),1244(g),281(v) 1273(g),83(g),384(r) 1298(g),432(v),534(r) 482(v),282(v),1289(g) 934(v),926(v),90(g),277(v) 1240(g),334(g),1271(g) 1257(g),1232(g),181(v) 333(g),228(v),325(g) 1178(v),379(r),927(v) 1272(g),1251(g),1242(g) 1246(g),443(v),227(v) 599(r),1243(g),1170(v) 383(r),273(v),1285(g) 588(r),1261(g),941(v) 536(r),110(g),223(v),439(v) 490(v),1268(g),1287(g) 182(v),395(r),85(g),391(r) 87(v),124(g),92(g),126(g) 1185(v),1171(v),1263(g) 119(g),1283(g),944(v) 123(g),943(v),594(r),595(r) 197(v),1291(g),288(v) 429(v),1188(v),168(v) 1266(g),542(r),1280(g) 585(r),376(r),235(v) 1284(g),755(v),387(r) 1253(g),393(r),639(v) 483(v),91(v),1265(g),224(v) 131(g),438(v),933(v) 1281(g),332(g),386(r) 726(r),170(v),495(v) 1293(g),428(v),584(r) 324(g),175(v),488(v),929(v) 233(v),1179(v),540(r) 114(r),541(r),229(v),547(r) 444(v),754(v),283(v),435(v) 994(r),514(v),1297(g) 275(v),337(g) 79. 3C ( 1) C 2- C 3-Mo 26 1.80532 -0.35388 109(g),112(g),111(g),108(g) 1231(g),1239(g),1237(g) 1233(g),326(v),1245(g) 113(g),1234(g),1235(g) 83(g),115(g),88(g),586(r) 1175(v),274(v),1249(g) 931(v),1279(g),1269(g) 119(v),1276(g),1176(v) 378(r),1247(g),1236(g) 430(v),89(g),932(v),276(v) 222(g),87(g),85(v),110(g) 1255(g),282(v),334(v) 1273(g),1180(v),1232(g) 1277(g),1174(v),1244(g) 1298(g),118(v),1289(g) 588(r),482(v),930(v),91(v) 377(r),281(v),1170(v) 936(v),277(v),1240(g) 333(v),383(r),114(r),534(r) 384(r),228(g),432(v) 1272(g),1271(g),926(v) 697(v),667(v),1178(v) 1257(g),170(g),126(v) 80. 3C ( 1) C 6- C 9- C 10 1.67311 -0.33047 112(r),1233(r),1239(r) 1237(r),1231(r),1245(r) 104(r),109(r),326(r),111(v) 378(g),1235(r),1247(r) 274(r),1234(r),931(r) 1249(r),1269(r),93(g) 1175(r),1176(r),1276(r) 1232(r),932(r),1279(r) 115(v),113(r),1244(r) 586(g),430(v),1273(r),98(g) 588(g),377(g),384(g),536(g) 1241(r),118(r),1243(r) 1180(r),936(r),1298(r) 334(r),1242(r),102(g) 383(g),482(v),1257(r) 1238(r),110(r),1289(r) 222(r),1246(r),1255(r) 108(r),542(g),1277(r) 1261(r),333(r),1174(r) 1251(r),443(v),281(r) 119(r),930(r),325(r),94(g) 595(g),428(v),1185(r) 534(g) 81. 3C ( 1) C 7- C 8-Mo 26 1.79114 -0.32557 112(g),104(g),114(v),113(g) 1231(g),1239(g),1233(g) 111(g),1237(g),1245(g) 1235(g),110(g),931(v) 326(v),378(v),1236(g) 1249(g),586(r),1175(v) 118(v),932(v),1269(g) 108(g),1279(g),1276(g) 430(g),1176(v),1247(g) 115(g),274(r),93(g),1234(g) 109(g),936(v),222(v),379(v) 1255(g),1244(g),334(v) 98(g),930(v),1273(g) 1180(v),384(v),536(v) 1277(g),926(v),1298(g) 281(r),377(v),1289(g) 380(v),482(g),1257(g) 333(v),1174(v),934(v) 1271(g),119(v),103(v) 282(r),588(r),172(v),97(g) 383(v),95(v),1272(g),395(v) 1238(g),1246(g),1240(g) 542(v),1261(g),443(g) 325(v),1251(g),1243(g) 439(g),126(v),927(v) 1268(g),227(v),170(v) 228(v),181(v),99(g),1178(v) 599(r),594(r),944(v) 1242(g),534(v),391(v) 124(v),273(r),1263(g) 1170(v),168(v),329(v) 386(v),223(v),123(v),595(r) 1185(v),393(v),376(v) 131(v),1283(g),101(v) 324(v),432(g),943(v),941(v) 224(v),1285(g),272(r) 495(g),1287(g),175(v) 182(v),1284(g),812(v) 428(g),1265(g),841(v) 82. 3Cn( 1) C 6- C 9- C 10 1.03206 -0.13889 115(v),113(r),104(r),110(r) 111(v),94(g),112(r),93(g) 109(r),100(g),587(g),98(g) 379(g),114(g),383(g),376(g) 430(v),97(v),108(r),1237(r) 600(g),588(g),1231(r) 377(g),1234(r),378(g) 384(g),1245(r),1235(r) 535(g),389(g),99(v),395(g) 536(g),784(v),483(v),480(v) 1247(r),534(g),380(g) 786(v),591(g),432(v),783(v) 1239(r) ------ non-Lewis ---------------------------------- 83. BD*( 1) C 1- C 2 0.02497 0.41728 84. BD*( 1) C 1- C 5 0.02317 0.43542 85. BD*( 1) C 1- H 11 0.01513 0.38592 86. BD*( 1) C 2- C 3 0.02476 0.41672 87. BD*( 1) C 2- H 12 0.01541 0.37071 88. BD*( 1) C 3- C 4 0.02247 0.44093 89. BD*( 1) C 3- H 13 0.01499 0.38334 90. BD*( 1) C 4- C 5 0.02048 0.45117 91. BD*( 1) C 4- H 14 0.01821 0.40802 92. BD*( 1) C 5- H 15 0.01943 0.40862 93. BD*( 1) C 6- C 7 0.02453 0.42129 94. BD*( 1) C 6- C 10 0.02439 0.42110 95. BD*( 1) C 6- H 16 0.01429 0.39963 96. BD*( 1) C 7- C 8 0.02119 0.45019 97. BD*( 1) C 7- H 17 0.01563 0.39527 98. BD*( 1) C 8- C 9 0.02225 0.42068 99. BD*( 1) C 8- H 18 0.01472 0.36953 100. BD*( 1) C 9- C 10 0.02135 0.44861 101. BD*( 1) C 9- H 19 0.01472 0.36891 102. BD*( 1) C 10- H 20 0.01562 0.39456 103. BD*( 1) S 21- S 22 0.06368 0.10390 104. BD*( 1) S 21-Mo 26 0.40641 0.04036 105. BD*( 1) S 22- S 23 0.11797 0.05566 106. BD*( 1) S 23- S 24 0.11800 0.05560 107. BD*( 1) S 24- S 25 0.06350 0.10312 108. BD*( 1) S 25-Mo 26 0.40366 0.04206 109. 3Cn( 1) C 1- C 5-Mo 26 0.45079 0.02716 110. 3Cn( 1) C 2- C 3-Mo 26 0.53611 0.01432 111. 3Cn( 1) C 7- C 8-Mo 26 0.46266 0.21724 112. 3C*( 1) C 1- C 5-Mo 26 0.32310 0.58443 113. 3C*( 1) C 2- C 3-Mo 26 0.44399 0.06599 114. 3C*( 1) C 6- C 9- C 10 0.18526 0.04463 115. 3C*( 1) C 7- C 8-Mo 26 0.37039 0.04124 116. RY ( 1) C 1 0.00364 1.68529 117. RY ( 2) C 1 0.00323 1.54362 118. RY ( 3) C 1 0.00198 2.04598 119. RY ( 4) C 1 0.00090 1.87323 120. RY ( 5) C 1 0.00081 3.07600 121. RY ( 6) C 1 0.00045 3.59696 122. RY ( 7) C 1 0.00041 4.52191 123. RY ( 8) C 1 0.00022 2.47712 124. RY ( 9) C 1 0.00016 2.55296 125. RY (10) C 1 0.00010 2.55697 126. RY (11) C 1 0.00009 4.75108 127. RY (12) C 1 0.00005 3.38799 128. RY (13) C 1 0.00004 3.32219 129. RY (14) C 1 0.00003 3.26652 130. RY (15) C 1 0.00003 3.11922 131. RY (16) C 1 0.00002 3.26256 132. RY (17) C 1 0.00001 3.88282 133. RY (18) C 1 0.00001 4.67794 134. RY (19) C 1 0.00001 3.91967 135. RY (20) C 1 0.00001 4.77110 136. RY (21) C 1 0.00001 4.76907 137. RY (22) C 1 0.00000 6.48207 138. RY (23) C 1 0.00001 5.10507 139. RY (24) C 1 0.00000 5.57929 140. RY (25) C 1 0.00000 6.67505 141. RY (26) C 1 0.00000 8.78635 142. RY (27) C 1 0.00000 5.75770 143. RY (28) C 1 0.00000 5.31243 144. RY (29) C 1 0.00000 4.85085 145. RY (30) C 1 0.00000 5.91229 146. RY (31) C 1 0.00000 5.52497 147. RY (32) C 1 0.00000 4.70920 148. RY (33) C 1 0.00000 4.25558 149. RY (34) C 1 0.00000 110.36689 150. RY (35) C 1 0.00000 11.17722 151. RY (36) C 1 0.00000 7.47669 152. RY (37) C 1 0.00000 7.09140 153. RY (38) C 1 0.00000 11.93236 154. RY (39) C 1 0.00000 10.57537 155. RY (40) C 1 0.00000 7.45494 156. RY (41) C 1 0.00000 7.04441 157. RY (42) C 1 0.00000 8.30930 158. RY (43) C 1 0.00000 6.85091 159. RY (44) C 1 0.00000 6.69266 160. RY (45) C 1 0.00000 7.55907 161. RY (46) C 1 0.00000 8.11992 162. RY (47) C 1 0.00000 6.58431 163. RY (48) C 1 0.00000 7.04098 164. RY (49) C 1 0.00000 7.83442 165. RY (50) C 1 0.00000 7.16323 166. RY (51) C 1 0.00000 8.11989 167. RY (52) C 1 0.00000 6.55405 168. RY ( 1) C 2 0.00349 1.88901 169. RY ( 2) C 2 0.00265 1.54473 170. RY ( 3) C 2 0.00116 1.86366 171. RY ( 4) C 2 0.00105 3.14512 172. RY ( 5) C 2 0.00072 2.03376 173. RY ( 6) C 2 0.00046 4.80658 174. RY ( 7) C 2 0.00036 3.04504 175. RY ( 8) C 2 0.00027 3.12766 176. RY ( 9) C 2 0.00012 2.46773 177. RY (10) C 2 0.00010 3.72786 178. RY (11) C 2 0.00007 3.44522 179. RY (12) C 2 0.00006 2.94410 180. RY (13) C 2 0.00005 4.02060 181. RY (14) C 2 0.00003 4.25946 182. RY (15) C 2 0.00002 3.69226 183. RY (16) C 2 0.00002 3.37413 184. RY (17) C 2 0.00001 3.41453 185. RY (18) C 2 0.00001 2.95238 186. RY (19) C 2 0.00001 4.31295 187. RY (20) C 2 0.00001 4.61641 188. RY (21) C 2 0.00001 3.69825 189. RY (22) C 2 0.00000 6.81577 190. RY (23) C 2 0.00000 4.89630 191. RY (24) C 2 0.00000 5.94361 192. RY (25) C 2 0.00000 5.59776 193. RY (26) C 2 0.00000 6.60049 194. RY (27) C 2 0.00000 6.56339 195. RY (28) C 2 0.00000 6.33357 196. RY (29) C 2 0.00000 5.74372 197. RY (30) C 2 0.00000 6.40957 198. RY (31) C 2 0.00000 5.47842 199. RY (32) C 2 0.00000 5.75167 200. RY (33) C 2 0.00000 4.66677 201. RY (34) C 2 0.00000 89.75079 202. RY (35) C 2 0.00000 39.25279 203. RY (36) C 2 0.00000 13.01165 204. RY (37) C 2 0.00000 6.99069 205. RY (38) C 2 0.00000 7.51910 206. RY (39) C 2 0.00000 8.03836 207. RY (40) C 2 0.00000 7.26887 208. RY (41) C 2 0.00000 7.00288 209. RY (42) C 2 0.00000 6.96809 210. RY (43) C 2 0.00000 7.45047 211. RY (44) C 2 0.00000 6.61619 212. RY (45) C 2 0.00000 6.64168 213. RY (46) C 2 0.00000 6.27460 214. RY (47) C 2 0.00000 6.12489 215. RY (48) C 2 0.00000 7.79031 216. RY (49) C 2 0.00000 6.20877 217. RY (50) C 2 0.00000 5.83990 218. RY (51) C 2 0.00000 5.34073 219. RY (52) C 2 0.00000 7.58475 220. RY ( 1) C 3 0.00362 1.70192 221. RY ( 2) C 3 0.00319 1.51763 222. RY ( 3) C 3 0.00209 1.98757 223. RY ( 4) C 3 0.00105 2.50293 224. RY ( 5) C 3 0.00073 2.53264 225. 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RY (46) C 8 0.00000 7.11868 526. RY (47) C 8 0.00000 6.88254 527. RY (48) C 8 0.00000 9.28665 528. RY (49) C 8 0.00000 6.57156 529. RY (50) C 8 0.00000 9.74169 530. RY (51) C 8 0.00000 8.78740 531. RY (52) C 8 0.00000 6.26272 532. RY ( 1) C 9 0.00385 1.68614 533. RY ( 2) C 9 0.00309 1.61137 534. RY ( 3) C 9 0.00202 1.81039 535. RY ( 4) C 9 0.00104 3.02473 536. RY ( 5) C 9 0.00091 1.80824 537. RY ( 6) C 9 0.00057 2.67067 538. RY ( 7) C 9 0.00042 4.67594 539. RY ( 8) C 9 0.00014 2.97619 540. RY ( 9) C 9 0.00012 3.30157 541. RY (10) C 9 0.00007 3.46761 542. RY (11) C 9 0.00005 4.16094 543. RY (12) C 9 0.00005 2.94877 544. RY (13) C 9 0.00003 3.41463 545. RY (14) C 9 0.00003 2.76411 546. RY (15) C 9 0.00002 3.50502 547. RY (16) C 9 0.00002 3.30039 548. RY (17) C 9 0.00001 4.86090 549. RY (18) C 9 0.00001 4.18897 550. RY (19) C 9 0.00001 3.79976 551. RY (20) C 9 0.00001 4.88177 552. RY (21) C 9 0.00001 5.96013 553. RY (22) C 9 0.00001 5.00929 554. RY (23) C 9 0.00000 4.59262 555. RY (24) C 9 0.00000 5.54006 556. RY (25) C 9 0.00000 6.42769 557. RY (26) C 9 0.00000 7.16502 558. RY (27) C 9 0.00000 7.14009 559. RY (28) C 9 0.00000 6.40308 560. RY (29) C 9 0.00000 5.54074 561. RY (30) C 9 0.00000 5.30764 562. RY (31) C 9 0.00000 5.48177 563. RY (32) C 9 0.00000 7.15319 564. RY (33) C 9 0.00000 5.07787 565. RY (34) C 9 0.00000 5.01388 566. RY (35) C 9 0.00000 3.72212 567. RY (36) C 9 0.00000 87.08161 568. RY (37) C 9 0.00000 15.41442 569. RY (38) C 9 0.00000 9.34981 570. RY (39) C 9 0.00000 13.07320 571. RY (40) C 9 0.00000 11.15664 572. RY (41) C 9 0.00000 11.61505 573. RY (42) C 9 0.00000 7.22465 574. RY (43) C 9 0.00000 7.26407 575. RY (44) C 9 0.00000 8.63490 576. RY (45) C 9 0.00000 14.48801 577. RY (46) C 9 0.00000 7.09603 578. RY (47) C 9 0.00000 6.49173 579. RY (48) C 9 0.00000 8.91879 580. RY (49) C 9 0.00000 5.97953 581. RY (50) C 9 0.00000 11.17409 582. RY (51) C 9 0.00000 8.05140 583. RY (52) C 9 0.00000 6.47738 584. RY ( 1) C 10 0.00368 1.74009 585. RY ( 2) C 10 0.00322 1.66616 586. RY ( 3) C 10 0.00139 1.94442 587. RY ( 4) C 10 0.00079 2.78785 588. RY ( 5) C 10 0.00073 2.29862 589. RY ( 6) C 10 0.00047 3.64421 590. RY ( 7) C 10 0.00045 4.07661 591. RY ( 8) C 10 0.00023 2.71798 592. RY ( 9) C 10 0.00013 2.76208 593. RY (10) C 10 0.00012 2.32418 594. RY (11) C 10 0.00008 3.03232 595. RY (12) C 10 0.00006 2.48244 596. RY (13) C 10 0.00004 4.12142 597. RY (14) C 10 0.00004 3.64825 598. RY (15) C 10 0.00003 4.48511 599. RY (16) C 10 0.00002 3.91504 600. RY (17) C 10 0.00002 3.11682 601. RY (18) C 10 0.00001 5.58491 602. RY (19) C 10 0.00001 4.22925 603. RY (20) C 10 0.00001 4.10787 604. RY (21) C 10 0.00001 4.66293 605. RY (22) C 10 0.00001 4.16870 606. RY (23) C 10 0.00000 7.26404 607. RY (24) C 10 0.00000 6.14529 608. RY (25) C 10 0.00000 6.63175 609. RY (26) C 10 0.00000 5.50715 610. RY (27) C 10 0.00000 5.91441 611. RY (28) C 10 0.00000 5.56584 612. RY (29) C 10 0.00000 5.56175 613. RY (30) C 10 0.00000 5.69220 614. RY (31) C 10 0.00000 5.22613 615. RY (32) C 10 0.00000 4.51233 616. RY (33) C 10 0.00000 5.48565 617. RY (34) C 10 0.00000 5.14793 618. RY (35) C 10 0.00000 78.70320 619. RY (36) C 10 0.00000 15.96453 620. RY (37) C 10 0.00000 21.29805 621. RY (38) C 10 0.00000 15.91841 622. RY (39) C 10 0.00000 11.64551 623. RY (40) C 10 0.00000 8.08243 624. RY (41) C 10 0.00000 7.88653 625. RY (42) C 10 0.00000 8.17826 626. RY (43) C 10 0.00000 10.65127 627. RY (44) C 10 0.00000 9.46475 628. RY (45) C 10 0.00000 8.82668 629. RY (46) C 10 0.00000 6.58030 630. RY (47) C 10 0.00000 6.38689 631. RY (48) C 10 0.00000 7.38912 632. RY (49) C 10 0.00000 7.90705 633. RY (50) C 10 0.00000 7.95689 634. RY (51) C 10 0.00000 10.05778 635. RY (52) C 10 0.00000 6.58395 636. RY ( 1) H 11 0.00049 2.92663 637. RY ( 2) H 11 0.00043 2.27827 638. RY ( 3) H 11 0.00033 2.41181 639. RY ( 4) H 11 0.00021 3.28075 640. RY ( 5) H 11 0.00015 1.61904 641. RY ( 6) H 11 0.00004 6.25942 642. RY ( 7) H 11 0.00002 3.68439 643. RY ( 8) H 11 0.00001 4.85446 644. RY ( 9) H 11 0.00001 5.19717 645. RY (10) H 11 0.00001 4.58700 646. RY (11) H 11 0.00001 5.89299 647. RY (12) H 11 0.00000 6.91365 648. RY (13) H 11 0.00000 7.52861 649. RY (14) H 11 0.00000 7.52068 650. RY (15) H 11 0.00000 7.15799 651. RY (16) H 11 0.00000 8.16222 652. RY (17) H 11 0.00000 5.03188 653. RY (18) H 11 0.00000 7.70315 654. RY (19) H 11 0.00000 7.59688 655. RY (20) H 11 0.00000 4.89651 656. RY (21) H 11 0.00000 9.00637 657. RY (22) H 11 0.00000 8.96038 658. RY (23) H 11 0.00000 8.24785 659. RY (24) H 11 0.00000 8.43125 660. RY (25) H 11 0.00000 8.20658 661. RY (26) H 11 0.00000 7.37730 662. RY (27) H 11 0.00000 8.70866 663. RY (28) H 11 0.00000 8.13904 664. RY (29) H 11 0.00000 7.04254 665. RY ( 1) H 12 0.00055 3.00833 666. RY ( 2) H 12 0.00049 3.03896 667. RY ( 3) H 12 0.00036 2.96752 668. RY ( 4) H 12 0.00020 1.36647 669. RY ( 5) H 12 0.00010 2.32475 670. RY ( 6) H 12 0.00004 6.88563 671. RY ( 7) H 12 0.00002 2.98382 672. RY ( 8) H 12 0.00001 6.64124 673. RY ( 9) H 12 0.00001 4.78794 674. RY (10) H 12 0.00001 3.17964 675. RY (11) H 12 0.00000 7.15782 676. RY (12) H 12 0.00001 5.09343 677. RY (13) H 12 0.00000 8.03945 678. RY (14) H 12 0.00000 8.31127 679. RY (15) H 12 0.00000 7.56952 680. RY (16) H 12 0.00000 7.14484 681. RY (17) H 12 0.00000 8.09943 682. RY (18) H 12 0.00000 7.85219 683. RY (19) H 12 0.00000 6.63596 684. RY (20) H 12 0.00000 4.30338 685. RY (21) H 12 0.00000 8.73420 686. RY (22) H 12 0.00000 8.78591 687. RY (23) H 12 0.00000 8.80008 688. RY (24) H 12 0.00000 6.94043 689. RY (25) H 12 0.00000 7.98246 690. RY (26) H 12 0.00000 7.34224 691. RY (27) H 12 0.00000 7.99163 692. RY (28) H 12 0.00000 8.83121 693. RY (29) H 12 0.00000 6.54911 694. RY ( 1) H 13 0.00049 2.87118 695. RY ( 2) H 13 0.00040 2.59081 696. RY ( 3) H 13 0.00033 2.25064 697. RY ( 4) H 13 0.00020 3.24039 698. RY ( 5) H 13 0.00016 1.55769 699. RY ( 6) H 13 0.00004 6.44992 700. RY ( 7) H 13 0.00002 3.44137 701. RY ( 8) H 13 0.00001 5.05216 702. RY ( 9) H 13 0.00001 5.03492 703. RY (10) H 13 0.00001 4.78062 704. RY (11) H 13 0.00001 5.56695 705. RY (12) H 13 0.00000 7.00091 706. RY (13) H 13 0.00000 7.00459 707. RY (14) H 13 0.00000 7.45114 708. RY (15) H 13 0.00000 7.49969 709. RY (16) H 13 0.00000 7.18373 710. RY (17) H 13 0.00000 6.88450 711. RY (18) H 13 0.00000 4.84181 712. RY (19) H 13 0.00000 9.00330 713. RY (20) H 13 0.00000 7.62150 714. RY (21) H 13 0.00000 5.18100 715. RY (22) H 13 0.00000 8.96333 716. RY (23) H 13 0.00000 9.12834 717. RY (24) H 13 0.00000 8.43274 718. RY (25) H 13 0.00000 8.37805 719. RY (26) H 13 0.00000 8.58721 720. RY (27) H 13 0.00000 7.80174 721. RY (28) H 13 0.00000 7.90114 722. RY (29) H 13 0.00000 7.89691 723. RY ( 1) H 14 0.00183 1.12536 724. RY ( 2) H 14 0.00054 2.69604 725. RY ( 3) H 14 0.00042 3.29428 726. RY ( 4) H 14 0.00031 2.61001 727. RY ( 5) H 14 0.00011 3.27447 728. RY ( 6) H 14 0.00008 5.42721 729. RY ( 7) H 14 0.00004 4.35981 730. RY ( 8) H 14 0.00003 5.24976 731. RY ( 9) H 14 0.00001 5.02395 732. RY (10) H 14 0.00001 6.51342 733. RY (11) H 14 0.00000 5.45086 734. RY (12) H 14 0.00001 4.75650 735. RY (13) H 14 0.00000 7.52430 736. RY (14) H 14 0.00000 7.75490 737. RY (15) H 14 0.00000 7.25431 738. RY (16) H 14 0.00000 8.79577 739. RY (17) H 14 0.00000 7.38785 740. RY (18) H 14 0.00000 6.29149 741. RY (19) H 14 0.00000 4.11496 742. RY (20) H 14 0.00000 8.35569 743. RY (21) H 14 0.00000 8.93938 744. RY (22) H 14 0.00000 7.89175 745. RY (23) H 14 0.00000 7.79855 746. RY (24) H 14 0.00000 9.30658 747. RY (25) H 14 0.00000 7.78336 748. RY (26) H 14 0.00000 8.78091 749. RY (27) H 14 0.00000 7.62653 750. RY (28) H 14 0.00000 7.18513 751. RY (29) H 14 0.00000 7.78981 752. RY ( 1) H 15 0.00216 1.06845 753. RY ( 2) H 15 0.00055 2.61298 754. RY ( 3) H 15 0.00044 3.27576 755. RY ( 4) H 15 0.00034 2.62244 756. RY ( 5) H 15 0.00012 3.28235 757. RY ( 6) H 15 0.00009 5.59081 758. RY ( 7) H 15 0.00005 4.25047 759. RY ( 8) H 15 0.00003 5.67959 760. RY ( 9) H 15 0.00001 5.01322 761. RY (10) H 15 0.00001 6.31826 762. RY (11) H 15 0.00001 3.79696 763. RY (12) H 15 0.00000 5.54954 764. RY (13) H 15 0.00001 6.23985 765. RY (14) H 15 0.00000 5.40841 766. RY (15) H 15 0.00000 8.03340 767. RY (16) H 15 0.00000 7.70273 768. RY (17) H 15 0.00000 7.35468 769. RY (18) H 15 0.00000 8.51963 770. RY (19) H 15 0.00000 7.36895 771. RY (20) H 15 0.00000 8.41335 772. RY (21) H 15 0.00000 8.74658 773. RY (22) H 15 0.00000 8.00026 774. RY (23) H 15 0.00000 8.00936 775. RY (24) H 15 0.00000 9.24986 776. RY (25) H 15 0.00000 8.21333 777. RY (26) H 15 0.00000 7.61924 778. RY (27) H 15 0.00000 7.79631 779. RY (28) H 15 0.00000 7.35820 780. RY (29) H 15 0.00000 7.12710 781. RY ( 1) H 16 0.00098 1.45720 782. RY ( 2) H 16 0.00049 2.96424 783. RY ( 3) H 16 0.00048 2.85388 784. RY ( 4) H 16 0.00023 2.62047 785. RY ( 5) H 16 0.00008 3.01365 786. RY ( 6) H 16 0.00005 5.58887 787. RY ( 7) H 16 0.00004 2.95203 788. RY ( 8) H 16 0.00002 5.71055 789. RY ( 9) H 16 0.00002 4.52609 790. RY (10) H 16 0.00002 5.31872 791. RY (11) H 16 0.00001 6.96317 792. RY (12) H 16 0.00001 5.68450 793. RY (13) H 16 0.00000 8.36416 794. RY (14) H 16 0.00000 8.25288 795. RY (15) H 16 0.00000 5.29654 796. RY (16) H 16 0.00000 4.87308 797. RY (17) H 16 0.00000 7.65926 798. RY (18) H 16 0.00000 6.94822 799. RY (19) H 16 0.00000 7.55805 800. RY (20) H 16 0.00000 9.12419 801. RY (21) H 16 0.00000 8.60202 802. RY (22) H 16 0.00000 7.61321 803. RY (23) H 16 0.00000 7.01642 804. RY (24) H 16 0.00000 8.75137 805. RY (25) H 16 0.00000 8.62263 806. RY (26) H 16 0.00000 8.00538 807. RY (27) H 16 0.00000 7.95686 808. RY (28) H 16 0.00000 7.51313 809. RY (29) H 16 0.00000 7.53306 810. RY ( 1) H 17 0.00075 1.95034 811. RY ( 2) H 17 0.00047 2.85237 812. RY ( 3) H 17 0.00032 3.01202 813. RY ( 4) H 17 0.00019 1.64112 814. RY ( 5) H 17 0.00012 2.74468 815. RY ( 6) H 17 0.00004 5.32147 816. RY ( 7) H 17 0.00003 5.64201 817. RY ( 8) H 17 0.00002 4.79330 818. RY ( 9) H 17 0.00001 4.88861 819. RY (10) H 17 0.00001 6.02686 820. RY (11) H 17 0.00001 4.06054 821. RY (12) H 17 0.00000 7.93995 822. RY (13) H 17 0.00000 6.94800 823. RY (14) H 17 0.00000 7.18491 824. RY (15) H 17 0.00000 7.40219 825. RY (16) H 17 0.00000 7.48647 826. RY (17) H 17 0.00000 6.87537 827. RY (18) H 17 0.00000 6.66768 828. RY (19) H 17 0.00000 6.34557 829. RY (20) H 17 0.00000 6.08434 830. RY (21) H 17 0.00000 9.02952 831. RY (22) H 17 0.00000 8.93230 832. RY (23) H 17 0.00000 7.88278 833. RY (24) H 17 0.00000 8.79073 834. RY (25) H 17 0.00000 9.52037 835. RY (26) H 17 0.00000 7.05979 836. RY (27) H 17 0.00000 8.16786 837. RY (28) H 17 0.00000 7.17884 838. RY (29) H 17 0.00000 7.74410 839. RY ( 1) H 18 0.00053 2.90084 840. RY ( 2) H 18 0.00042 3.10942 841. RY ( 3) H 18 0.00025 2.88018 842. RY ( 4) H 18 0.00017 1.68203 843. RY ( 5) H 18 0.00016 2.07503 844. RY ( 6) H 18 0.00003 5.71901 845. RY ( 7) H 18 0.00002 3.57705 846. RY ( 8) H 18 0.00001 5.89177 847. RY ( 9) H 18 0.00001 4.68018 848. RY (10) H 18 0.00001 4.86322 849. RY (11) H 18 0.00001 5.16092 850. RY (12) H 18 0.00000 8.26201 851. RY (13) H 18 0.00000 7.74077 852. RY (14) H 18 0.00000 6.75636 853. RY (15) H 18 0.00000 7.16156 854. RY (16) H 18 0.00000 7.32228 855. RY (17) H 18 0.00000 5.86500 856. RY (18) H 18 0.00000 5.64468 857. RY (19) H 18 0.00000 11.20004 858. RY (20) H 18 0.00000 5.01116 859. RY (21) H 18 0.00000 6.42509 860. RY (22) H 18 0.00000 8.66161 861. RY (23) H 18 0.00000 9.32762 862. RY (24) H 18 0.00000 8.99316 863. RY (25) H 18 0.00000 9.33222 864. RY (26) H 18 0.00000 7.02662 865. RY (27) H 18 0.00000 6.95996 866. RY (28) H 18 0.00000 6.85417 867. RY (29) H 18 0.00000 8.29128 868. RY ( 1) H 19 0.00053 2.87460 869. RY ( 2) H 19 0.00042 3.09827 870. RY ( 3) H 19 0.00025 2.84123 871. RY ( 4) H 19 0.00017 1.71879 872. RY ( 5) H 19 0.00016 2.08643 873. RY ( 6) H 19 0.00003 5.96734 874. RY ( 7) H 19 0.00002 3.32041 875. RY ( 8) H 19 0.00001 6.01069 876. RY ( 9) H 19 0.00001 4.59471 877. RY (10) H 19 0.00001 4.85233 878. RY (11) H 19 0.00001 5.16337 879. RY (12) H 19 0.00000 8.23109 880. RY (13) H 19 0.00000 7.82070 881. RY (14) H 19 0.00000 6.66202 882. RY (15) H 19 0.00000 7.14455 883. RY (16) H 19 0.00000 7.22326 884. RY (17) H 19 0.00000 6.49826 885. RY (18) H 19 0.00000 5.19710 886. RY (19) H 19 0.00000 11.22529 887. RY (20) H 19 0.00000 5.09959 888. RY (21) H 19 0.00000 6.17275 889. RY (22) H 19 0.00000 8.62990 890. RY (23) H 19 0.00000 9.28134 891. RY (24) H 19 0.00000 8.94853 892. RY (25) H 19 0.00000 9.32437 893. RY (26) H 19 0.00000 7.14955 894. RY (27) H 19 0.00000 6.90912 895. RY (28) H 19 0.00000 6.83559 896. RY (29) H 19 0.00000 8.41272 897. RY ( 1) H 20 0.00073 1.96681 898. RY ( 2) H 20 0.00047 2.85888 899. RY ( 3) H 20 0.00031 2.99785 900. RY ( 4) H 20 0.00019 1.68543 901. RY ( 5) H 20 0.00012 2.64941 902. RY ( 6) H 20 0.00004 5.47261 903. RY ( 7) H 20 0.00003 5.44399 904. RY ( 8) H 20 0.00002 4.86620 905. RY ( 9) H 20 0.00001 4.83189 906. RY (10) H 20 0.00001 6.12517 907. RY (11) H 20 0.00001 3.98455 908. RY (12) H 20 0.00000 7.98385 909. RY (13) H 20 0.00000 6.90547 910. RY (14) H 20 0.00000 7.27823 911. RY (15) H 20 0.00000 7.36973 912. RY (16) H 20 0.00000 7.52466 913. RY (17) H 20 0.00000 6.76755 914. RY (18) H 20 0.00000 6.89056 915. RY (19) H 20 0.00000 6.20017 916. RY (20) H 20 0.00000 6.11964 917. RY (21) H 20 0.00000 9.09194 918. RY (22) H 20 0.00000 8.93326 919. RY (23) H 20 0.00000 7.98768 920. RY (24) H 20 0.00000 8.65231 921. RY (25) H 20 0.00000 9.52600 922. RY (26) H 20 0.00000 7.09732 923. RY (27) H 20 0.00000 7.70343 924. RY (28) H 20 0.00000 7.49069 925. RY (29) H 20 0.00000 7.70766 926. RY ( 1) S 21 0.00800 0.99570 927. RY ( 2) S 21 0.00391 1.09369 928. RY ( 3) S 21 0.00306 1.17645 929. RY ( 4) S 21 0.00162 1.06120 930. RY ( 5) S 21 0.00090 2.08102 931. RY ( 6) S 21 0.00054 2.83957 932. RY ( 7) S 21 0.00047 2.14658 933. RY ( 8) S 21 0.00030 1.83561 934. RY ( 9) S 21 0.00025 1.40684 935. RY (10) S 21 0.00017 2.49738 936. RY (11) S 21 0.00010 1.97854 937. RY (12) S 21 0.00008 1.91637 938. RY (13) S 21 0.00005 1.67222 939. RY (14) S 21 0.00004 2.23343 940. RY (15) S 21 0.00003 1.72835 941. RY (16) S 21 0.00002 2.36851 942. RY (17) S 21 0.00002 1.74661 943. RY (18) S 21 0.00002 2.36423 944. RY (19) S 21 0.00001 3.70966 945. RY (20) S 21 0.00001 2.46511 946. RY (21) S 21 0.00001 2.02853 947. RY (22) S 21 0.00000 5.03679 948. RY (23) S 21 0.00000 4.05574 949. RY (24) S 21 0.00000 4.83001 950. RY (25) S 21 0.00000 6.48977 951. RY (26) S 21 0.00000 4.46430 952. RY (27) S 21 0.00000 4.91380 953. RY (28) S 21 0.00000 5.32417 954. RY (29) S 21 0.00000 4.74478 955. RY (30) S 21 0.00000 3.38546 956. RY (31) S 21 0.00000 4.55420 957. RY (32) S 21 0.00000 4.71734 958. RY (33) S 21 0.00000 5.02173 959. RY (34) S 21 0.00000 3.66461 960. RY (35) S 21 0.00000 3.62853 961. RY (36) S 21 0.00000 3.74654 962. RY (37) S 21 0.00000 4.09950 963. RY (38) S 21 0.00000 3.79516 964. RY (39) S 21 0.00000 2.30611 965. RY (40) S 21 0.00001 2.09216 966. RY (41) S 21 0.00001 2.56696 967. RY (42) S 21 0.00000 64.96193 968. RY (43) S 21 0.00000 419.80613 969. RY (44) S 21 0.00000 33.10017 970. RY (45) S 21 0.00000 22.64725 971. RY (46) S 21 0.00000 19.20858 972. RY (47) S 21 0.00000 17.15825 973. RY (48) S 21 0.00000 10.96582 974. RY (49) S 21 0.00000 8.84839 975. RY (50) S 21 0.00000 24.38560 976. RY (51) S 21 0.00000 13.42931 977. RY (52) S 21 0.00000 7.58757 978. RY (53) S 21 0.00000 9.82015 979. RY (54) S 21 0.00000 4.80269 980. RY (55) S 21 0.00000 4.20705 981. RY (56) S 21 0.00000 8.42425 982. RY (57) S 21 0.00000 5.12265 983. RY (58) S 21 0.00000 4.23133 984. RY (59) S 21 0.00000 4.95992 985. RY (60) S 21 0.00000 6.41414 986. RY (61) S 21 0.00000 4.01281 987. RY ( 1) S 22 0.01945 0.72245 988. RY ( 2) S 22 0.01089 0.65984 989. RY ( 3) S 22 0.00634 0.58203 990. RY ( 4) S 22 0.00332 0.88899 991. RY ( 5) S 22 0.00089 1.18668 992. RY ( 6) S 22 0.00050 1.07559 993. RY ( 7) S 22 0.00036 0.96313 994. RY ( 8) S 22 0.00030 1.61247 995. RY ( 9) S 22 0.00010 1.77774 996. RY (10) S 22 0.00007 1.79379 997. RY (11) S 22 0.00004 2.08822 998. RY (12) S 22 0.00003 1.70928 999. RY (13) S 22 0.00002 3.09095 1000. RY (14) S 22 0.00001 2.40781 1001. RY (15) S 22 0.00001 2.41518 1002. RY (16) S 22 0.00001 2.55869 1003. RY (17) S 22 0.00001 2.04208 1004. RY (18) S 22 0.00000 3.79228 1005. RY (19) S 22 0.00001 3.74727 1006. RY (20) S 22 0.00000 11.01952 1007. RY (21) S 22 0.00000 5.48640 1008. RY (22) S 22 0.00000 5.23820 1009. RY (23) S 22 0.00000 5.51915 1010. RY (24) S 22 0.00000 4.74991 1011. RY (25) S 22 0.00000 6.02527 1012. RY (26) S 22 0.00000 4.51295 1013. RY (27) S 22 0.00000 4.49314 1014. RY (28) S 22 0.00000 4.42910 1015. RY (29) S 22 0.00000 4.29469 1016. RY (30) S 22 0.00000 3.61933 1017. RY (31) S 22 0.00000 4.30371 1018. RY (32) S 22 0.00000 3.94765 1019. RY (33) S 22 0.00000 4.21344 1020. RY (34) S 22 0.00000 2.90622 1021. RY (35) S 22 0.00000 3.97974 1022. RY (36) S 22 0.00000 5.88332 1023. RY (37) S 22 0.00000 6.16881 1024. RY (38) S 22 0.00000 5.72541 1025. RY (39) S 22 0.00000 4.21427 1026. RY (40) S 22 0.00000 3.64890 1027. RY (41) S 22 0.00000 3.85141 1028. RY (42) S 22 0.00000 3.02103 1029. RY (43) S 22 0.00000 4.30655 1030. RY (44) S 22 0.00000 3.17402 1031. RY (45) S 22 0.00000 4.05701 1032. RY (46) S 22 0.00000 3.72762 1033. RY (47) S 22 0.00000 4.33079 1034. RY (48) S 22 0.00000 69.66766 1035. RY (49) S 22 0.00000 397.88299 1036. RY (50) S 22 0.00000 22.15612 1037. RY (51) S 22 0.00000 26.35439 1038. RY (52) S 22 0.00000 25.58280 1039. RY (53) S 22 0.00000 22.55569 1040. RY (54) S 22 0.00000 22.08521 1041. RY (55) S 22 0.00000 13.60124 1042. RY (56) S 22 0.00000 12.62380 1043. RY (57) S 22 0.00000 6.49183 1044. RY (58) S 22 0.00000 4.71147 1045. RY (59) S 22 0.00000 7.11821 1046. RY (60) S 22 0.00000 9.56088 1047. RY (61) S 22 0.00000 6.40445 1048. RY ( 1) S 23 0.01586 0.66809 1049. RY ( 2) S 23 0.00832 0.70506 1050. RY ( 3) S 23 0.00390 0.80891 1051. RY ( 4) S 23 0.00283 0.75964 1052. RY ( 5) S 23 0.00067 1.28085 1053. RY ( 6) S 23 0.00049 1.05764 1054. RY ( 7) S 23 0.00033 0.96114 1055. RY ( 8) S 23 0.00021 1.99341 1056. RY ( 9) S 23 0.00010 2.13880 1057. RY (10) S 23 0.00005 1.65595 1058. RY (11) S 23 0.00003 1.25701 1059. RY (12) S 23 0.00001 1.46542 1060. RY (13) S 23 0.00001 2.49204 1061. RY (14) S 23 0.00001 2.85968 1062. RY (15) S 23 0.00000 3.54702 1063. RY (16) S 23 0.00001 3.23595 1064. RY (17) S 23 0.00000 1.90865 1065. RY (18) S 23 0.00000 1.68958 1066. RY (19) S 23 0.00000 5.94510 1067. RY (20) S 23 0.00000 7.33591 1068. RY (21) S 23 0.00000 4.93618 1069. RY (22) S 23 0.00000 3.82547 1070. RY (23) S 23 0.00000 4.28489 1071. RY (24) S 23 0.00000 3.17383 1072. RY (25) S 23 0.00000 5.57560 1073. RY (26) S 23 0.00000 4.57205 1074. RY (27) S 23 0.00000 4.04437 1075. RY (28) S 23 0.00000 3.95989 1076. RY (29) S 23 0.00000 6.14679 1077. RY (30) S 23 0.00000 4.10514 1078. RY (31) S 23 0.00000 4.91566 1079. RY (32) S 23 0.00000 5.63498 1080. RY (33) S 23 0.00000 3.48879 1081. RY (34) S 23 0.00000 4.83547 1082. RY (35) S 23 0.00000 4.72300 1083. RY (36) S 23 0.00000 4.97454 1084. RY (37) S 23 0.00000 5.02280 1085. RY (38) S 23 0.00000 5.14089 1086. RY (39) S 23 0.00000 4.91546 1087. RY (40) S 23 0.00000 4.52546 1088. RY (41) S 23 0.00000 2.90287 1089. RY (42) S 23 0.00000 2.96396 1090. RY (43) S 23 0.00000 3.88148 1091. RY (44) S 23 0.00000 2.94187 1092. RY (45) S 23 0.00000 2.33042 1093. RY (46) S 23 0.00000 6.32923 1094. RY (47) S 23 0.00000 4.70102 1095. RY (48) S 23 0.00000 5.70981 1096. RY (49) S 23 0.00000 68.90709 1097. RY (50) S 23 0.00000 215.97917 1098. RY (51) S 23 0.00000 185.31246 1099. RY (52) S 23 0.00000 16.65516 1100. RY (53) S 23 0.00000 62.76805 1101. RY (54) S 23 0.00000 11.54376 1102. RY (55) S 23 0.00000 17.77958 1103. RY (56) S 23 0.00000 10.55153 1104. RY (57) S 23 0.00000 9.69129 1105. RY (58) S 23 0.00000 18.14724 1106. RY (59) S 23 0.00000 4.55980 1107. RY (60) S 23 0.00000 8.85894 1108. RY (61) S 23 0.00000 10.83429 1109. RY ( 1) S 24 0.01962 0.72244 1110. RY ( 2) S 24 0.01083 0.66560 1111. RY ( 3) S 24 0.00640 0.57768 1112. RY ( 4) S 24 0.00332 0.90654 1113. RY ( 5) S 24 0.00089 1.20282 1114. RY ( 6) S 24 0.00049 1.07396 1115. RY ( 7) S 24 0.00036 0.91407 1116. RY ( 8) S 24 0.00030 1.65482 1117. RY ( 9) S 24 0.00010 1.82881 1118. RY (10) S 24 0.00008 1.74893 1119. RY (11) S 24 0.00004 2.17338 1120. RY (12) S 24 0.00003 1.68245 1121. RY (13) S 24 0.00003 2.77619 1122. RY (14) S 24 0.00002 2.39437 1123. RY (15) S 24 0.00001 2.37761 1124. RY (16) S 24 0.00001 2.34889 1125. RY (17) S 24 0.00001 2.47275 1126. RY (18) S 24 0.00000 3.70556 1127. RY (19) S 24 0.00001 3.71146 1128. RY (20) S 24 0.00000 6.19328 1129. RY (21) S 24 0.00000 11.91624 1130. RY (22) S 24 0.00000 4.97149 1131. RY (23) S 24 0.00000 4.87344 1132. RY (24) S 24 0.00000 6.26738 1133. RY (25) S 24 0.00000 4.60677 1134. RY (26) S 24 0.00000 4.26844 1135. RY (27) S 24 0.00000 4.75131 1136. RY (28) S 24 0.00000 4.23451 1137. RY (29) S 24 0.00000 4.06643 1138. RY (30) S 24 0.00000 3.86585 1139. RY (31) S 24 0.00000 5.27144 1140. RY (32) S 24 0.00000 3.86334 1141. RY (33) S 24 0.00000 4.33926 1142. RY (34) S 24 0.00000 2.76934 1143. RY (35) S 24 0.00000 4.73083 1144. RY (36) S 24 0.00000 5.92459 1145. RY (37) S 24 0.00000 5.68714 1146. RY (38) S 24 0.00000 4.73156 1147. RY (39) S 24 0.00000 4.45841 1148. RY (40) S 24 0.00000 3.54864 1149. RY (41) S 24 0.00000 3.52483 1150. RY (42) S 24 0.00000 3.32730 1151. RY (43) S 24 0.00000 4.36550 1152. RY (44) S 24 0.00000 3.77229 1153. RY (45) S 24 0.00000 4.08239 1154. RY (46) S 24 0.00000 3.17386 1155. RY (47) S 24 0.00000 4.19251 1156. RY (48) S 24 0.00000 69.26462 1157. RY (49) S 24 0.00000 405.29572 1158. RY (50) S 24 0.00000 20.51323 1159. RY (51) S 24 0.00000 24.75384 1160. RY (52) S 24 0.00000 21.62947 1161. RY (53) S 24 0.00000 29.48226 1162. RY (54) S 24 0.00000 17.47695 1163. RY (55) S 24 0.00000 15.36131 1164. RY (56) S 24 0.00000 9.14515 1165. RY (57) S 24 0.00000 6.15979 1166. RY (58) S 24 0.00000 6.09060 1167. RY (59) S 24 0.00000 7.61306 1168. RY (60) S 24 0.00000 8.02714 1169. RY (61) S 24 0.00000 5.03899 1170. RY ( 1) S 25 0.00801 0.99156 1171. RY ( 2) S 25 0.00390 1.09949 1172. RY ( 3) S 25 0.00305 1.15155 1173. RY ( 4) S 25 0.00164 1.05433 1174. RY ( 5) S 25 0.00089 2.07638 1175. RY ( 6) S 25 0.00054 2.69601 1176. RY ( 7) S 25 0.00048 2.24992 1177. RY ( 8) S 25 0.00031 1.85023 1178. RY ( 9) S 25 0.00025 1.45386 1179. RY (10) S 25 0.00018 2.53215 1180. RY (11) S 25 0.00010 2.01793 1181. RY (12) S 25 0.00008 1.88183 1182. RY (13) S 25 0.00005 1.66771 1183. RY (14) S 25 0.00004 2.20901 1184. RY (15) S 25 0.00003 1.75552 1185. RY (16) S 25 0.00002 2.44961 1186. RY (17) S 25 0.00002 1.78499 1187. RY (18) S 25 0.00002 2.02170 1188. RY (19) S 25 0.00002 3.84292 1189. RY (20) S 25 0.00001 2.57163 1190. RY (21) S 25 0.00001 2.03614 1191. RY (22) S 25 0.00000 4.05375 1192. RY (23) S 25 0.00000 4.13388 1193. RY (24) S 25 0.00000 4.89494 1194. RY (25) S 25 0.00000 6.58495 1195. RY (26) S 25 0.00000 4.14082 1196. RY (27) S 25 0.00000 5.12003 1197. RY (28) S 25 0.00000 5.23517 1198. RY (29) S 25 0.00000 5.00130 1199. RY (30) S 25 0.00000 3.39460 1200. RY (31) S 25 0.00000 4.51279 1201. RY (32) S 25 0.00000 4.58191 1202. RY (33) S 25 0.00000 4.92522 1203. RY (34) S 25 0.00000 3.50719 1204. RY (35) S 25 0.00000 4.08701 1205. RY (36) S 25 0.00000 3.72129 1206. RY (37) S 25 0.00000 3.94275 1207. RY (38) S 25 0.00000 3.50172 1208. RY (39) S 25 0.00000 2.59187 1209. RY (40) S 25 0.00001 2.20110 1210. RY (41) S 25 0.00001 2.51371 1211. RY (42) S 25 0.00000 71.06538 1212. RY (43) S 25 0.00000 404.67744 1213. RY (44) S 25 0.00000 37.06077 1214. RY (45) S 25 0.00000 19.95318 1215. RY (46) S 25 0.00000 25.48815 1216. RY (47) S 25 0.00000 16.77773 1217. RY (48) S 25 0.00000 10.07019 1218. RY (49) S 25 0.00000 11.29934 1219. RY (50) S 25 0.00000 25.59028 1220. RY (51) S 25 0.00000 9.43991 1221. RY (52) S 25 0.00000 8.72791 1222. RY (53) S 25 0.00000 4.98992 1223. RY (54) S 25 0.00000 12.80980 1224. RY (55) S 25 0.00000 3.88411 1225. RY (56) S 25 0.00000 7.91134 1226. RY (57) S 25 0.00000 5.05682 1227. RY (58) S 25 0.00000 4.12554 1228. RY (59) S 25 0.00000 4.88703 1229. RY (60) S 25 0.00000 6.31007 1230. RY (61) S 25 0.00000 4.89672 1231. RY ( 1)Mo 26 0.01336 2.84843 1232. RY ( 2)Mo 26 0.00993 1.27519 1233. RY ( 3)Mo 26 0.00917 2.36734 1234. RY ( 4)Mo 26 0.00869 1.20398 1235. RY ( 5)Mo 26 0.00520 2.37683 1236. RY ( 6)Mo 26 0.00428 2.62001 1237. RY ( 7)Mo 26 0.00325 4.90955 1238. RY ( 8)Mo 26 0.00288 1.59877 1239. RY ( 9)Mo 26 0.00189 8.47175 1240. RY (10)Mo 26 0.00144 2.59830 1241. RY (11)Mo 26 0.00120 4.73169 1242. RY (12)Mo 26 0.00094 2.85389 1243. RY (13)Mo 26 0.00079 4.54556 1244. RY (14)Mo 26 0.00069 3.07230 1245. RY (15)Mo 26 0.00054 3.81254 1246. RY (16)Mo 26 0.00051 2.14381 1247. RY (17)Mo 26 0.00046 3.23031 1248. RY (18)Mo 26 0.00040 2.24222 1249. RY (19)Mo 26 0.00030 3.72233 1250. RY (20)Mo 26 0.00024 2.58257 1251. RY (21)Mo 26 0.00022 2.73273 1252. RY (22)Mo 26 0.00019 3.00528 1253. RY (23)Mo 26 0.00014 2.60841 1254. RY (24)Mo 26 0.00012 2.15870 1255. RY (25)Mo 26 0.00009 3.82983 1256. RY (26)Mo 26 0.00008 2.77869 1257. RY (27)Mo 26 0.00007 2.25153 1258. RY (28)Mo 26 0.00005 3.09181 1259. RY (29)Mo 26 0.00005 3.11239 1260. RY (30)Mo 26 0.00004 3.96691 1261. RY (31)Mo 26 0.00003 3.75812 1262. RY (32)Mo 26 0.00003 3.42670 1263. RY (33)Mo 26 0.00002 3.72254 1264. RY (34)Mo 26 0.00002 3.77174 1265. RY (35)Mo 26 0.00002 4.17531 1266. RY (36)Mo 26 0.00001 3.70484 1267. RY (37)Mo 26 0.00001 3.94873 1268. RY (38)Mo 26 0.00001 3.62196 1269. RY (39)Mo 26 0.00000 4.80749 1270. RY (40)Mo 26 0.00000 3.08441 1271. RY (41)Mo 26 0.00000 5.15150 1272. RY (42)Mo 26 0.00000 7.61226 1273. RY (43)Mo 26 0.00000 4.07546 1274. RY (44)Mo 26 0.00000 3.85273 1275. RY (45)Mo 26 0.00000 4.93198 1276. RY (46)Mo 26 0.00000 7.09428 1277. RY (47)Mo 26 0.00000 4.41910 1278. RY (48)Mo 26 0.00000 3.66451 1279. RY (49)Mo 26 0.00000 6.03504 1280. RY (50)Mo 26 0.00000 6.07224 1281. RY (51)Mo 26 0.00000 4.76440 1282. RY (52)Mo 26 0.00000 4.71804 1283. RY (53)Mo 26 0.00000 4.56829 1284. RY (54)Mo 26 0.00000 3.54583 1285. RY (55)Mo 26 0.00000 4.20076 1286. RY (56)Mo 26 0.00000 4.14218 1287. RY (57)Mo 26 0.00000 5.07807 1288. RY (58)Mo 26 0.00000 4.21918 1289. RY (59)Mo 26 0.00000 26.74672 1290. RY (60)Mo 26 0.00000 3.73564 1291. RY (61)Mo 26 0.00000 4.75707 1292. RY (62)Mo 26 0.00000 3.91422 1293. RY (63)Mo 26 0.00000 4.16715 1294. RY (64)Mo 26 0.00000 5.19151 1295. RY (65)Mo 26 0.00000 5.24090 1296. RY (66)Mo 26 0.00000 5.00843 1297. RY (67)Mo 26 0.00000 4.80837 1298. RY (68)Mo 26 0.00000 38.76042 1299. RY (69)Mo 26 0.00000 8.41001 1300. RY (70)Mo 26 0.00000 4.79375 1301. RY (71)Mo 26 0.00000 4.19802 ------------------------------- Total Lewis 187.29299 ( 97.5484%) Valence non-Lewis 4.33322 ( 2.2569%) Rydberg non-Lewis 0.37379 ( 0.1947%) ------------------------------- Total unit 1 192.00000 (100.0000%) Charge unit 1 0.00000 $CHOOSE LONE 4 1 21 2 22 2 23 2 24 2 25 2 26 1 END BOND S 1 2 S 1 5 S 1 11 S 2 3 S 2 12 S 3 4 S 3 13 S 4 5 S 4 14 S 5 15 S 6 7 S 6 10 S 6 16 S 7 8 S 7 17 S 8 9 S 8 18 S 9 10 S 9 19 S 10 20 S 21 22 S 21 26 S 22 23 S 23 24 S 24 25 S 25 26 END 3C S 1 5 26 S 2 3 26 D 6 9 10 S 7 8 26 END $END Checkpoint NBOs sorted by occupancy: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 2.00000 -87.61916 11. CR ( 1) S 21 2. 2.00000 -87.90032 16. CR ( 1) S 22 3. 2.00000 -87.97387 21. CR ( 1) S 23 4. 2.00000 -87.89816 26. CR ( 1) S 24 5. 2.00000 -87.60963 31. CR ( 1) S 25 6. 2.00000 -8.90347 12. CR ( 2) S 21 7. 2.00000 -8.69806 17. CR ( 2) S 22 8. 2.00000 -8.62430 22. CR ( 2) S 23 9. 2.00000 -8.70119 27. CR ( 2) S 24 10. 2.00000 -8.91418 32. CR ( 2) S 25 11. 2.00000 -5.85264 13. CR ( 3) S 21 12. 1.99999 -5.84680 14. CR ( 4) S 21 13. 1.99999 -5.84326 15. CR ( 5) S 21 14. 1.99999 -5.88981 24. CR ( 4) S 23 15. 2.00000 -5.85318 33. CR ( 3) S 25 16. 1.99999 -5.88765 18. CR ( 3) S 22 17. 1.99999 -5.88258 19. CR ( 4) S 22 18. 1.99999 -5.88331 20. CR ( 5) S 22 19. 1.99999 -5.88189 23. CR ( 3) S 23 20. 1.99999 -5.88235 25. CR ( 5) S 23 21. 1.99999 -5.88810 28. CR ( 3) S 24 22. 1.99999 -5.84566 34. CR ( 4) S 25 23. 1.99999 -5.84568 35. CR ( 5) S 25 24. 1.99999 -5.88595 29. CR ( 4) S 24 25. 1.99999 -5.88090 30. CR ( 5) S 24 26. 1.99997 -10.22783 1. CR ( 1) C 1 27. 1.99997 -10.23794 2. CR ( 1) C 2 28. 1.99997 -10.22906 3. CR ( 1) C 3 29. 1.99997 -10.23041 4. CR ( 1) C 4 30. 1.99997 -10.22915 5. CR ( 1) C 5 31. 1.99997 -10.22195 6. CR ( 1) C 6 32. 1.99997 -10.23337 7. CR ( 1) C 7 33. 1.99997 -10.24445 8. CR ( 1) C 8 34. 1.99997 -10.24465 9. CR ( 1) C 9 35. 1.99997 -10.23354 10. CR ( 1) C 10 36. 1.99992 -2.60298 36. CR ( 1)Mo 26 37. 1.99984 -1.57381 38. CR ( 3)Mo 26 38. 1.99982 -1.58888 37. CR ( 2)Mo 26 39. 1.99974 -1.60527 39. CR ( 4)Mo 26 40. 1.99540 -0.50693 45. LP ( 1) S 23 41. 1.99245 -0.49439 47. LP ( 1) S 24 42. 1.99205 -0.49377 43. LP ( 1) S 22 43. 1.98712 -0.49586 75. BD ( 1) S 23- S 24 44. 1.98702 -0.49540 74. BD ( 1) S 22- S 23 45. 1.98364 -0.50118 76. BD ( 1) S 24- S 25 46. 1.98361 -0.50097 72. BD ( 1) S 21- S 22 47. 1.98132 -0.51299 56. BD ( 1) C 2- H 12 48. 1.98053 -0.51718 70. BD ( 1) C 9- H 19 49. 1.98051 -0.51709 68. BD ( 1) C 8- H 18 50. 1.98041 -0.49476 60. BD ( 1) C 4- H 14 51. 1.98005 -0.50082 54. BD ( 1) C 1- H 11 52. 1.98002 -0.49336 61. BD ( 1) C 5- H 15 53. 1.97999 -0.50268 58. BD ( 1) C 3- H 13 54. 1.97786 -0.50238 71. BD ( 1) C 10- H 20 55. 1.97775 -0.50216 66. BD ( 1) C 7- H 17 56. 1.97713 -0.48805 64. BD ( 1) C 6- H 16 57. 1.97407 -0.57517 59. BD ( 1) C 4- C 5 58. 1.97329 -0.58224 67. BD ( 1) C 8- C 9 59. 1.96936 -0.58352 65. BD ( 1) C 7- C 8 60. 1.96927 -0.58305 69. BD ( 1) C 9- C 10 61. 1.96919 -0.46666 49. LP ( 1) S 25 62. 1.96877 -0.46531 41. LP ( 1) S 21 63. 1.96633 -0.56136 55. BD ( 1) C 2- C 3 64. 1.96604 -0.56009 52. BD ( 1) C 1- C 2 65. 1.96366 -0.56915 57. BD ( 1) C 3- C 4 66. 1.96211 -0.55799 62. BD ( 1) C 6- C 7 67. 1.96190 -0.55801 63. BD ( 1) C 6- C 10 68. 1.96140 -0.56464 53. BD ( 1) C 1- C 5 69. 1.95334 -0.33674 77. BD ( 1) S 25-Mo 26 70. 1.95330 -0.33568 73. BD ( 1) S 21-Mo 26 71. 1.89588 -0.24317 46. LP ( 2) S 23 72. 1.88200 -0.21439 42. LP ( 2) S 21 73. 1.88126 -0.24123 48. LP ( 2) S 24 74. 1.88072 -0.24082 44. LP ( 2) S 22 75. 1.88014 -0.21417 50. LP ( 2) S 25 76. 1.80532 -0.35388 79. 3C ( 1) C 2- C 3-Mo 26 77. 1.79114 -0.32557 81. 3C ( 1) C 7- C 8-Mo 26 78. 1.72271 -0.27965 78. 3C ( 1) C 1- C 5-Mo 26 79. 1.71479 -0.17376 51. LP ( 1)Mo 26 80. 1.67311 -0.33047 80. 3C ( 1) C 6- C 9- C 10 81. 1.03206 -0.13889 82. 3Cn( 1) C 6- C 9- C 10 82. 0.90601 -0.13409 40. LP ( 1) C 4 83. 0.53611 0.01432 110. 3Cn( 1) C 2- C 3-Mo 26 84. 0.46266 0.21724 111. 3Cn( 1) C 7- C 8-Mo 26 85. 0.45079 0.02716 109. 3Cn( 1) C 1- C 5-Mo 26 86. 0.44399 0.06599 113. 3C*( 1) C 2- C 3-Mo 26 87. 0.40641 0.04036 104. BD*( 1) S 21-Mo 26 88. 0.40366 0.04206 108. BD*( 1) S 25-Mo 26 89. 0.37039 0.04124 115. 3C*( 1) C 7- C 8-Mo 26 90. 0.32310 0.58443 112. 3C*( 1) C 1- C 5-Mo 26 91. 0.18526 0.04463 114. 3C*( 1) C 6- C 9- C 10 92. 0.11800 0.05560 106. BD*( 1) S 23- S 24 93. 0.11797 0.05566 105. BD*( 1) S 22- S 23 94. 0.06368 0.10390 103. BD*( 1) S 21- S 22 95. 0.06350 0.10312 107. BD*( 1) S 24- S 25 96. 0.02497 0.41728 83. BD*( 1) C 1- C 2 97. 0.02476 0.41672 86. BD*( 1) C 2- C 3 98. 0.02453 0.42129 93. BD*( 1) C 6- C 7 99. 0.02439 0.42110 94. BD*( 1) C 6- C 10 100. 0.02317 0.43542 84. BD*( 1) C 1- C 5 101. 0.02247 0.44093 88. BD*( 1) C 3- C 4 102. 0.02225 0.42068 98. BD*( 1) C 8- C 9 103. 0.02135 0.44861 100. BD*( 1) C 9- C 10 104. 0.02119 0.45019 96. BD*( 1) C 7- C 8 105. 0.02048 0.45117 90. BD*( 1) C 4- C 5 106. 0.01962 0.72244 1109. RY ( 1) S 24 107. 0.01945 0.72245 987. RY ( 1) S 22 108. 0.01943 0.40862 92. BD*( 1) C 5- H 15 109. 0.01821 0.40802 91. BD*( 1) C 4- H 14 110. 0.01586 0.66809 1048. RY ( 1) S 23 111. 0.01563 0.39527 97. BD*( 1) C 7- H 17 112. 0.01562 0.39456 102. BD*( 1) C 10- H 20 113. 0.01541 0.37071 87. BD*( 1) C 2- H 12 114. 0.01513 0.38592 85. BD*( 1) C 1- H 11 115. 0.01499 0.38334 89. BD*( 1) C 3- H 13 116. 0.01472 0.36891 101. BD*( 1) C 9- H 19 117. 0.01472 0.36953 99. BD*( 1) C 8- H 18 118. 0.01429 0.39963 95. BD*( 1) C 6- H 16 119. 0.01336 2.84843 1231. RY ( 1)Mo 26 120. 0.01089 0.65984 988. RY ( 2) S 22 121. 0.01083 0.66560 1110. RY ( 2) S 24 122. 0.00993 1.27519 1232. RY ( 2)Mo 26 123. 0.00917 2.36734 1233. RY ( 3)Mo 26 124. 0.00869 1.20398 1234. RY ( 4)Mo 26 125. 0.00832 0.70506 1049. RY ( 2) S 23 126. 0.00801 0.99156 1170. RY ( 1) S 25 127. 0.00800 0.99570 926. RY ( 1) S 21 128. 0.00640 0.57768 1111. RY ( 3) S 24 129. 0.00634 0.58203 989. RY ( 3) S 22 130. 0.00520 2.37683 1235. RY ( 5)Mo 26 131. 0.00434 1.40841 324. RY ( 1) C 5 132. 0.00428 2.62001 1236. RY ( 6)Mo 26 133. 0.00423 1.65262 376. RY ( 1) C 6 134. 0.00422 1.44066 272. RY ( 1) C 4 135. 0.00391 1.09369 927. RY ( 2) S 21 136. 0.00390 1.09949 1171. RY ( 2) S 25 137. 0.00390 0.80891 1050. RY ( 3) S 23 138. 0.00385 1.68614 532. RY ( 1) C 9 139. 0.00374 1.70459 480. RY ( 1) C 8 140. 0.00373 1.68979 273. RY ( 2) C 4 141. 0.00372 1.73502 325. RY ( 2) C 5 142. 0.00368 1.74009 584. RY ( 1) C 10 143. 0.00367 1.73742 428. RY ( 1) C 7 144. 0.00364 1.68529 116. RY ( 1) C 1 145. 0.00362 1.70192 220. RY ( 1) C 3 146. 0.00349 1.88901 168. RY ( 1) C 2 147. 0.00346 1.75548 377. RY ( 2) C 6 148. 0.00332 0.90654 1112. RY ( 4) S 24 149. 0.00332 0.88899 990. RY ( 4) S 22 150. 0.00325 4.90955 1237. RY ( 7)Mo 26 151. 0.00323 1.54362 117. RY ( 2) C 1 152. 0.00322 1.67459 429. RY ( 2) C 7 153. 0.00322 1.66616 585. RY ( 2) C 10 154. 0.00319 1.51763 221. RY ( 2) C 3 155. 0.00318 2.54709 378. RY ( 3) C 6 156. 0.00309 1.61137 533. RY ( 2) C 9 157. 0.00306 1.17645 928. RY ( 3) S 21 158. 0.00305 1.15155 1172. RY ( 3) S 25 159. 0.00304 1.56590 481. RY ( 2) C 8 160. 0.00288 1.59877 1238. RY ( 8)Mo 26 161. 0.00283 0.75964 1051. RY ( 4) S 23 162. 0.00265 1.54473 169. RY ( 2) C 2 163. 0.00233 2.38131 326. RY ( 3) C 5 164. 0.00220 2.31297 274. RY ( 3) C 4 165. 0.00216 1.06845 752. RY ( 1) H 15 166. 0.00209 1.98757 222. RY ( 3) C 3 167. 0.00203 1.85183 482. RY ( 3) C 8 168. 0.00202 1.81039 534. RY ( 3) C 9 169. 0.00198 2.04598 118. RY ( 3) C 1 170. 0.00189 8.47175 1239. RY ( 9)Mo 26 171. 0.00183 1.12536 723. RY ( 1) H 14 172. 0.00164 1.05433 1173. RY ( 4) S 25 173. 0.00162 1.06120 929. RY ( 4) S 21 174. 0.00162 2.38302 379. RY ( 4) C 6 175. 0.00144 2.59830 1240. RY (10)Mo 26 176. 0.00142 1.83154 430. RY ( 3) C 7 177. 0.00139 1.94442 586. RY ( 3) C 10 178. 0.00127 2.31128 327. RY ( 4) C 5 179. 0.00120 4.73169 1241. RY (11)Mo 26 180. 0.00116 1.86366 170. RY ( 3) C 2 181. 0.00108 1.96792 275. RY ( 4) C 4 182. 0.00105 3.14512 171. RY ( 4) C 2 183. 0.00105 2.50293 223. RY ( 4) C 3 184. 0.00104 3.02473 535. RY ( 4) C 9 185. 0.00103 2.30798 328. RY ( 5) C 5 186. 0.00098 1.45720 781. RY ( 1) H 16 187. 0.00096 2.97932 431. RY ( 4) C 7 188. 0.00096 2.42682 483. RY ( 4) C 8 189. 0.00094 2.85389 1242. RY (12)Mo 26 190. 0.00091 1.80824 536. RY ( 5) C 9 191. 0.00090 1.87323 119. RY ( 4) C 1 192. 0.00090 2.08102 930. RY ( 5) S 21 193. 0.00089 1.18668 991. RY ( 5) S 22 194. 0.00089 1.20282 1113. RY ( 5) S 24 195. 0.00089 2.07638 1174. RY ( 5) S 25 196. 0.00081 2.58570 276. RY ( 5) C 4 197. 0.00081 3.07600 120. RY ( 5) C 1 198. 0.00080 1.95163 380. RY ( 5) C 6 199. 0.00079 2.78785 587. RY ( 4) C 10 200. 0.00079 4.54556 1243. RY (13)Mo 26 201. 0.00075 1.95034 810. RY ( 1) H 17 202. 0.00074 2.45311 484. RY ( 5) C 8 203. 0.00073 2.53264 224. RY ( 5) C 3 204. 0.00073 1.96681 897. RY ( 1) H 20 205. 0.00073 2.29862 588. RY ( 5) C 10 206. 0.00072 2.03376 172. RY ( 5) C 2 207. 0.00069 3.07230 1244. RY (14)Mo 26 208. 0.00069 2.20072 432. RY ( 5) C 7 209. 0.00067 1.28085 1052. RY ( 5) S 23 210. 0.00061 2.13634 329. RY ( 6) C 5 211. 0.00059 2.25537 277. RY ( 6) C 4 212. 0.00058 2.60930 485. RY ( 6) C 8 213. 0.00057 2.67067 537. RY ( 6) C 9 214. 0.00055 2.61298 753. RY ( 2) H 15 215. 0.00055 3.00833 665. RY ( 1) H 12 216. 0.00054 2.69601 1175. RY ( 6) S 25 217. 0.00054 3.81254 1245. RY (15)Mo 26 218. 0.00054 2.69604 724. RY ( 2) H 14 219. 0.00054 2.83957 931. RY ( 6) S 21 220. 0.00053 2.87460 868. RY ( 1) H 19 221. 0.00053 2.90084 839. RY ( 1) H 18 222. 0.00051 2.14381 1246. RY (16)Mo 26 223. 0.00050 1.07559 992. RY ( 6) S 22 224. 0.00049 3.03896 666. RY ( 2) H 12 225. 0.00049 2.87118 694. RY ( 1) H 13 226. 0.00049 2.96424 782. RY ( 2) H 16 227. 0.00049 1.05764 1053. RY ( 6) S 23 228. 0.00049 1.07396 1114. RY ( 6) S 24 229. 0.00049 2.92663 636. RY ( 1) H 11 230. 0.00048 2.24992 1176. RY ( 7) S 25 231. 0.00048 2.85388 783. RY ( 3) H 16 232. 0.00047 2.85237 811. RY ( 2) H 17 233. 0.00047 3.55480 433. RY ( 6) C 7 234. 0.00047 3.64421 589. RY ( 6) C 10 235. 0.00047 2.85888 898. RY ( 2) H 20 236. 0.00047 2.14658 932. RY ( 7) S 21 237. 0.00046 4.80658 173. RY ( 6) C 2 238. 0.00046 3.23031 1247. RY (17)Mo 26 239. 0.00045 3.59696 121. RY ( 6) C 1 240. 0.00045 3.51845 225. RY ( 6) C 3 241. 0.00045 4.18159 434. RY ( 7) C 7 242. 0.00045 4.07661 590. RY ( 7) C 10 243. 0.00045 4.61914 278. RY ( 7) C 4 244. 0.00045 4.55083 330. RY ( 7) C 5 245. 0.00044 3.27576 754. RY ( 3) H 15 246. 0.00043 2.27827 637. RY ( 2) H 11 247. 0.00042 4.90814 381. RY ( 6) C 6 248. 0.00042 3.29428 725. RY ( 3) H 14 249. 0.00042 4.71164 486. RY ( 7) C 8 250. 0.00042 4.67594 538. RY ( 7) C 9 251. 0.00042 3.09827 869. RY ( 2) H 19 252. 0.00042 3.10942 840. RY ( 2) H 18 253. 0.00041 4.52191 122. RY ( 7) C 1 254. 0.00041 4.46672 226. RY ( 7) C 3 255. 0.00040 2.59081 695. RY ( 2) H 13 256. 0.00040 2.24222 1248. RY (18)Mo 26 257. 0.00036 0.96313 993. RY ( 7) S 22 258. 0.00036 0.91407 1115. RY ( 7) S 24 259. 0.00036 3.04504 174. RY ( 7) C 2 260. 0.00036 2.96752 667. RY ( 3) H 12 261. 0.00034 2.62244 755. RY ( 4) H 15 262. 0.00033 2.41181 638. RY ( 3) H 11 263. 0.00033 3.03250 331. RY ( 8) C 5 264. 0.00033 0.96114 1054. RY ( 7) S 23 265. 0.00033 3.00752 279. RY ( 8) C 4 266. 0.00033 2.25064 696. RY ( 3) H 13 267. 0.00032 3.01202 812. RY ( 3) H 17 268. 0.00031 2.99785 899. RY ( 3) H 20 269. 0.00031 2.49067 382. RY ( 7) C 6 270. 0.00031 2.61001 726. RY ( 4) H 14 271. 0.00031 1.85023 1177. RY ( 8) S 25 272. 0.00030 1.83561 933. RY ( 8) S 21 273. 0.00030 1.61247 994. RY ( 8) S 22 274. 0.00030 1.65482 1116. RY ( 8) S 24 275. 0.00030 3.72233 1249. RY (19)Mo 26 276. 0.00027 3.12766 175. RY ( 8) C 2 277. 0.00026 2.35663 332. RY ( 9) C 5 278. 0.00026 2.57842 383. RY ( 8) C 6 279. 0.00025 2.84123 870. RY ( 3) H 19 280. 0.00025 2.88018 841. RY ( 3) H 18 281. 0.00025 1.40684 934. RY ( 9) S 21 282. 0.00025 1.45386 1178. RY ( 9) S 25 283. 0.00024 2.35219 280. RY ( 9) C 4 284. 0.00024 2.58257 1250. RY (20)Mo 26 285. 0.00023 2.62047 784. RY ( 4) H 16 286. 0.00023 2.71756 435. RY ( 8) C 7 287. 0.00023 2.71798 591. RY ( 8) C 10 288. 0.00022 2.47712 123. RY ( 8) C 1 289. 0.00022 2.73273 1251. RY (21)Mo 26 290. 0.00021 3.28075 639. RY ( 4) H 11 291. 0.00021 1.99341 1055. RY ( 8) S 23 292. 0.00020 2.51802 227. RY ( 8) C 3 293. 0.00020 3.24039 697. RY ( 4) H 13 294. 0.00020 1.36647 668. RY ( 4) H 12 295. 0.00019 3.00528 1252. RY (22)Mo 26 296. 0.00019 1.68543 900. RY ( 4) H 20 297. 0.00019 1.64112 813. RY ( 4) H 17 298. 0.00018 2.53215 1179. RY (10) S 25 299. 0.00017 2.49738 935. RY (10) S 21 300. 0.00017 2.22634 384. RY ( 9) C 6 301. 0.00017 1.68203 842. RY ( 4) H 18 302. 0.00017 1.71879 871. RY ( 4) H 19 303. 0.00016 2.08643 872. RY ( 5) H 19 304. 0.00016 1.55769 698. RY ( 5) H 13 305. 0.00016 2.55296 124. RY ( 9) C 1 306. 0.00016 2.07503 843. RY ( 5) H 18 307. 0.00015 2.59477 228. RY ( 9) C 3 308. 0.00015 1.61904 640. RY ( 5) H 11 309. 0.00015 2.77664 385. RY (10) C 6 310. 0.00014 2.97619 539. RY ( 8) C 9 311. 0.00014 1.83693 333. RY (10) C 5 312. 0.00014 2.60841 1253. RY (23)Mo 26 313. 0.00014 2.92650 487. RY ( 8) C 8 314. 0.00014 2.80026 436. RY ( 9) C 7 315. 0.00013 2.76208 592. RY ( 9) C 10 316. 0.00012 2.29399 437. RY (10) C 7 317. 0.00012 2.32418 593. RY (10) C 10 318. 0.00012 2.46773 176. RY ( 9) C 2 319. 0.00012 3.30157 540. RY ( 9) C 9 320. 0.00012 2.02875 281. RY (10) C 4 321. 0.00012 3.33094 488. RY ( 9) C 8 322. 0.00012 4.41765 386. RY (11) C 6 323. 0.00012 2.64941 901. RY ( 5) H 20 324. 0.00012 3.28235 756. RY ( 5) H 15 325. 0.00012 2.74468 814. RY ( 5) H 17 326. 0.00012 2.15870 1254. RY (24)Mo 26 327. 0.00011 3.27447 727. RY ( 5) H 14 328. 0.00010 2.32475 669. RY ( 5) H 12 329. 0.00010 1.82881 1117. RY ( 9) S 24 330. 0.00010 2.55697 125. RY (10) C 1 331. 0.00010 3.72786 177. RY (10) C 2 332. 0.00010 2.62369 334. RY (11) C 5 333. 0.00010 2.01793 1180. RY (11) S 25 334. 0.00010 1.97854 936. RY (11) S 21 335. 0.00010 3.50972 229. RY (10) C 3 336. 0.00010 1.77774 995. RY ( 9) S 22 337. 0.00010 2.13880 1056. RY ( 9) S 23 338. 0.00009 4.75108 126. RY (11) C 1 339. 0.00009 3.82983 1255. RY (25)Mo 26 340. 0.00009 2.56367 282. RY (11) C 4 341. 0.00009 3.86596 230. RY (11) C 3 342. 0.00008 3.73264 335. RY (12) C 5 343. 0.00009 5.59081 757. RY ( 6) H 15 344. 0.00008 2.99501 438. RY (11) C 7 345. 0.00008 3.01365 785. RY ( 5) H 16 346. 0.00008 2.77869 1256. RY (26)Mo 26 347. 0.00008 3.03232 594. RY (11) C 10 348. 0.00008 1.91637 937. RY (12) S 21 349. 0.00008 1.88183 1181. RY (12) S 25 350. 0.00008 3.60990 283. RY (12) C 4 351. 0.00008 5.42721 728. RY ( 6) H 14 352. 0.00008 1.74893 1118. RY (10) S 24 353. 0.00007 4.13310 387. RY (12) C 6 354. 0.00007 2.25153 1257. RY (27)Mo 26 355. 0.00007 3.44522 178. RY (11) C 2 356. 0.00007 1.79379 996. RY (10) S 22 357. 0.00007 3.27499 388. RY (13) C 6 358. 0.00007 3.48700 489. RY (10) C 8 359. 0.00007 3.46761 541. RY (10) C 9 360. 0.00006 2.94410 179. RY (12) C 2 361. 0.00006 4.11136 284. RY (13) C 4 362. 0.00006 4.11491 336. RY (13) C 5 363. 0.00006 2.48244 595. RY (12) C 10 364. 0.00005 3.38799 127. RY (12) C 1 365. 0.00005 3.35667 231. RY (12) C 3 366. 0.00005 2.50159 439. RY (12) C 7 367. 0.00005 3.64151 490. RY (11) C 8 368. 0.00005 4.16094 542. RY (11) C 9 369. 0.00005 3.37987 491. RY (12) C 8 370. 0.00005 2.94877 543. RY (12) C 9 371. 0.00005 1.67222 938. RY (13) S 21 372. 0.00005 1.66771 1182. RY (13) S 25 373. 0.00005 3.09181 1258. RY (28)Mo 26 374. 0.00005 4.02060 180. RY (13) C 2 375. 0.00005 3.65213 389. RY (14) C 6 376. 0.00005 4.25047 758. RY ( 7) H 15 377. 0.00005 1.65595 1057. RY (10) S 23 378. 0.00005 3.11239 1259. RY (29)Mo 26 379. 0.00005 3.06996 285. RY (14) C 4 380. 0.00004 4.35981 729. RY ( 7) H 14 381. 0.00005 5.58887 786. RY ( 6) H 16 382. 0.00004 3.22521 337. RY (14) C 5 383. 0.00004 6.25942 641. RY ( 6) H 11 384. 0.00004 2.95203 787. RY ( 7) H 16 385. 0.00004 5.32147 815. RY ( 6) H 17 386. 0.00004 5.47261 902. RY ( 6) H 20 387. 0.00004 2.17338 1119. RY (11) S 24 388. 0.00004 2.08822 997. RY (11) S 22 389. 0.00004 3.32219 128. RY (13) C 1 390. 0.00004 3.07377 232. RY (13) C 3 391. 0.00004 4.02964 440. RY (13) C 7 392. 0.00004 4.12142 596. RY (13) C 10 393. 0.00004 6.88563 670. RY ( 6) H 12 394. 0.00004 6.44992 699. RY ( 6) H 13 395. 0.00004 3.96691 1260. RY (30)Mo 26 396. 0.00004 3.62405 441. RY (14) C 7 397. 0.00004 3.64825 597. RY (14) C 10 398. 0.00004 2.23343 939. RY (14) S 21 399. 0.00004 2.20901 1183. RY (14) S 25 400. 0.00003 3.26652 129. RY (14) C 1 401. 0.00003 3.20411 233. RY (14) C 3 402. 0.00003 3.53057 338. RY (15) C 5 403. 0.00003 3.80354 286. RY (15) C 4 404. 0.00003 3.47735 492. RY (13) C 8 405. 0.00003 3.41463 544. RY (13) C 9 406. 0.00003 1.70928 998. RY (12) S 22 407. 0.00003 1.68245 1120. RY (12) S 24 408. 0.00003 3.75812 1261. RY (31)Mo 26 409. 0.00003 5.64201 816. RY ( 7) H 17 410. 0.00003 5.44399 903. RY ( 7) H 20 411. 0.00003 4.48335 442. RY (15) C 7 412. 0.00003 3.11922 130. RY (15) C 1 413. 0.00003 4.48511 598. RY (15) C 10 414. 0.00003 5.67959 759. RY ( 8) H 15 415. 0.00003 5.71901 844. RY ( 6) H 18 416. 0.00003 5.96734 873. RY ( 6) H 19 417. 0.00003 1.72835 940. RY (15) S 21 418. 0.00003 3.42670 1262. RY (32)Mo 26 419. 0.00003 1.75552 1184. RY (15) S 25 420. 0.00003 4.25946 181. RY (14) C 2 421. 0.00002 3.69226 182. RY (15) C 2 422. 0.00003 3.19830 234. RY (15) C 3 423. 0.00003 5.24976 730. RY ( 8) H 14 424. 0.00003 1.25701 1058. RY (11) S 23 425. 0.00002 4.13347 339. RY (16) C 5 426. 0.00003 2.72781 493. RY (14) C 8 427. 0.00003 2.76411 545. RY (14) C 9 428. 0.00002 3.68439 642. RY ( 7) H 11 429. 0.00003 2.77619 1121. RY (13) S 24 430. 0.00002 3.44137 700. RY ( 7) H 13 431. 0.00002 3.04428 390. RY (15) C 6 432. 0.00002 3.17683 391. RY (16) C 6 433. 0.00002 4.00461 443. RY (16) C 7 434. 0.00002 2.36851 941. RY (16) S 21 435. 0.00002 3.91504 599. RY (16) C 10 436. 0.00002 3.09095 999. RY (13) S 22 437. 0.00002 2.44961 1185. RY (16) S 25 438. 0.00002 3.72254 1263. RY (33)Mo 26 439. 0.00002 3.57705 845. RY ( 7) H 18 440. 0.00002 3.32041 874. RY ( 7) H 19 441. 0.00002 4.20261 287. RY (16) C 4 442. 0.00002 3.77174 1264. RY (34)Mo 26 443. 0.00002 2.98382 671. RY ( 7) H 12 444. 0.00002 3.26256 131. RY (16) C 1 445. 0.00002 3.37413 183. RY (16) C 2 446. 0.00002 3.58077 235. RY (16) C 3 447. 0.00002 5.71055 788. RY ( 8) H 16 448. 0.00002 4.52609 789. RY ( 9) H 16 449. 0.00002 4.79330 817. RY ( 8) H 17 450. 0.00002 4.86620 904. RY ( 8) H 20 451. 0.00002 1.74661 942. RY (17) S 21 452. 0.00002 1.78499 1186. RY (17) S 25 453. 0.00002 4.54184 288. RY (17) C 4 454. 0.00002 4.66500 340. RY (17) C 5 455. 0.00002 3.05375 444. RY (17) C 7 456. 0.00002 3.75890 392. RY (17) C 6 457. 0.00002 3.62626 494. RY (15) C 8 458. 0.00002 3.50502 546. RY (15) C 9 459. 0.00002 3.11682 600. RY (17) C 10 460. 0.00002 5.31872 790. RY (10) H 16 461. 0.00001 3.88282 132. RY (17) C 1 462. 0.00001 4.20298 393. RY (18) C 6 463. 0.00002 3.23587 495. RY (16) C 8 464. 0.00002 3.30039 547. RY (16) C 9 465. 0.00002 2.36423 943. RY (18) S 21 466. 0.00001 4.67794 133. RY (18) C 1 467. 0.00001 3.41453 184. RY (17) C 2 468. 0.00001 2.95238 185. RY (18) C 2 469. 0.00001 4.67434 236. RY (17) C 3 470. 0.00001 3.32758 237. RY (18) C 3 471. 0.00001 4.73903 289. RY (18) C 4 472. 0.00001 4.39056 341. RY (18) C 5 473. 0.00001 4.60719 394. RY (19) C 6 474. 0.00001 4.72368 496. RY (17) C 8 475. 0.00001 4.86090 548. 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RY (30) S 23 1156. 0.00000 4.91566 1078. RY (31) S 23 1157. 0.00000 5.63498 1079. RY (32) S 23 1158. 0.00000 3.48879 1080. RY (33) S 23 1159. 0.00000 4.83547 1081. RY (34) S 23 1160. 0.00000 4.72300 1082. RY (35) S 23 1161. 0.00000 4.97454 1083. RY (36) S 23 1162. 0.00000 5.02280 1084. RY (37) S 23 1163. 0.00000 5.14089 1085. RY (38) S 23 1164. 0.00000 4.91546 1086. RY (39) S 23 1165. 0.00000 4.52546 1087. RY (40) S 23 1166. 0.00000 2.90287 1088. RY (41) S 23 1167. 0.00000 2.96396 1089. RY (42) S 23 1168. 0.00000 3.88148 1090. RY (43) S 23 1169. 0.00000 2.94187 1091. RY (44) S 23 1170. 0.00000 2.33042 1092. RY (45) S 23 1171. 0.00000 6.32923 1093. RY (46) S 23 1172. 0.00000 4.70102 1094. RY (47) S 23 1173. 0.00000 5.70981 1095. RY (48) S 23 1174. 0.00000 68.90709 1096. RY (49) S 23 1175. 0.00000 215.97917 1097. RY (50) S 23 1176. 0.00000 185.31246 1098. RY (51) S 23 1177. 0.00000 16.65516 1099. RY (52) S 23 1178. 0.00000 62.76805 1100. RY (53) S 23 1179. 0.00000 11.54376 1101. RY (54) S 23 1180. 0.00000 17.77958 1102. RY (55) S 23 1181. 0.00000 10.55153 1103. RY (56) S 23 1182. 0.00000 9.69129 1104. RY (57) S 23 1183. 0.00000 18.14724 1105. RY (58) S 23 1184. 0.00000 4.55980 1106. RY (59) S 23 1185. 0.00000 8.85894 1107. RY (60) S 23 1186. 0.00000 10.83429 1108. RY (61) S 23 1187. 0.00000 6.19328 1128. RY (20) S 24 1188. 0.00000 11.91624 1129. RY (21) S 24 1189. 0.00000 4.97149 1130. RY (22) S 24 1190. 0.00000 4.87344 1131. RY (23) S 24 1191. 0.00000 6.26738 1132. RY (24) S 24 1192. 0.00000 4.60677 1133. RY (25) S 24 1193. 0.00000 4.26844 1134. RY (26) S 24 1194. 0.00000 4.75131 1135. RY (27) S 24 1195. 0.00000 4.23451 1136. RY (28) S 24 1196. 0.00000 4.06643 1137. RY (29) S 24 1197. 0.00000 3.86585 1138. RY (30) S 24 1198. 0.00000 5.27144 1139. RY (31) S 24 1199. 0.00000 3.86334 1140. RY (32) S 24 1200. 0.00000 4.33926 1141. RY (33) S 24 1201. 0.00000 2.76934 1142. RY (34) S 24 1202. 0.00000 4.73083 1143. RY (35) S 24 1203. 0.00000 5.92459 1144. RY (36) S 24 1204. 0.00000 5.68714 1145. RY (37) S 24 1205. 0.00000 4.73156 1146. RY (38) S 24 1206. 0.00000 4.45841 1147. RY (39) S 24 1207. 0.00000 3.54864 1148. RY (40) S 24 1208. 0.00000 3.52483 1149. RY (41) S 24 1209. 0.00000 3.32730 1150. RY (42) S 24 1210. 0.00000 4.36550 1151. RY (43) S 24 1211. 0.00000 3.77229 1152. RY (44) S 24 1212. 0.00000 4.08239 1153. RY (45) S 24 1213. 0.00000 3.17386 1154. RY (46) S 24 1214. 0.00000 4.19251 1155. RY (47) S 24 1215. 0.00000 69.26462 1156. RY (48) S 24 1216. 0.00000 405.29572 1157. RY (49) S 24 1217. 0.00000 20.51323 1158. RY (50) S 24 1218. 0.00000 24.75384 1159. RY (51) S 24 1219. 0.00000 21.62947 1160. RY (52) S 24 1220. 0.00000 29.48226 1161. RY (53) S 24 1221. 0.00000 17.47695 1162. RY (54) S 24 1222. 0.00000 15.36131 1163. RY (55) S 24 1223. 0.00000 9.14515 1164. RY (56) S 24 1224. 0.00000 6.15979 1165. RY (57) S 24 1225. 0.00000 6.09060 1166. RY (58) S 24 1226. 0.00000 7.61306 1167. RY (59) S 24 1227. 0.00000 8.02714 1168. RY (60) S 24 1228. 0.00000 5.03899 1169. RY (61) S 24 1229. 0.00000 4.05375 1191. RY (22) S 25 1230. 0.00000 4.13388 1192. RY (23) S 25 1231. 0.00000 4.89494 1193. RY (24) S 25 1232. 0.00000 6.58495 1194. RY (25) S 25 1233. 0.00000 4.14082 1195. RY (26) S 25 1234. 0.00000 5.12003 1196. RY (27) S 25 1235. 0.00000 5.23517 1197. RY (28) S 25 1236. 0.00000 5.00130 1198. RY (29) S 25 1237. 0.00000 3.39460 1199. RY (30) S 25 1238. 0.00000 4.51279 1200. RY (31) S 25 1239. 0.00000 4.58191 1201. RY (32) S 25 1240. 0.00000 4.92522 1202. RY (33) S 25 1241. 0.00000 3.50719 1203. RY (34) S 25 1242. 0.00000 4.08701 1204. RY (35) S 25 1243. 0.00000 3.72129 1205. RY (36) S 25 1244. 0.00000 3.94275 1206. RY (37) S 25 1245. 0.00000 3.50172 1207. RY (38) S 25 1246. 0.00000 2.59187 1208. RY (39) S 25 1247. 0.00001 2.20110 1209. RY (40) S 25 1248. 0.00001 2.51371 1210. RY (41) S 25 1249. 0.00000 4.80749 1269. RY (39)Mo 26 1250. 0.00000 3.08441 1270. RY (40)Mo 26 1251. 0.00000 71.06538 1211. RY (42) S 25 1252. 0.00000 404.67744 1212. RY (43) S 25 1253. 0.00000 37.06077 1213. RY (44) S 25 1254. 0.00000 19.95318 1214. RY (45) S 25 1255. 0.00000 25.48815 1215. RY (46) S 25 1256. 0.00000 16.77773 1216. RY (47) S 25 1257. 0.00000 10.07019 1217. RY (48) S 25 1258. 0.00000 11.29934 1218. RY (49) S 25 1259. 0.00000 25.59028 1219. RY (50) S 25 1260. 0.00000 9.43991 1220. RY (51) S 25 1261. 0.00000 8.72791 1221. RY (52) S 25 1262. 0.00000 4.98992 1222. RY (53) S 25 1263. 0.00000 12.80980 1223. RY (54) S 25 1264. 0.00000 3.88411 1224. RY (55) S 25 1265. 0.00000 7.91134 1225. RY (56) S 25 1266. 0.00000 5.05682 1226. RY (57) S 25 1267. 0.00000 4.12554 1227. RY (58) S 25 1268. 0.00000 4.88703 1228. RY (59) S 25 1269. 0.00000 6.31007 1229. RY (60) S 25 1270. 0.00000 4.89672 1230. RY (61) S 25 1271. 0.00000 5.15150 1271. RY (41)Mo 26 1272. 0.00000 7.61226 1272. RY (42)Mo 26 1273. 0.00000 4.07546 1273. RY (43)Mo 26 1274. 0.00000 3.85273 1274. RY (44)Mo 26 1275. 0.00000 4.93198 1275. RY (45)Mo 26 1276. 0.00000 7.09428 1276. RY (46)Mo 26 1277. 0.00000 4.41910 1277. RY (47)Mo 26 1278. 0.00000 3.66451 1278. RY (48)Mo 26 1279. 0.00000 6.03504 1279. RY (49)Mo 26 1280. 0.00000 6.07224 1280. RY (50)Mo 26 1281. 0.00000 4.76440 1281. RY (51)Mo 26 1282. 0.00000 4.71804 1282. RY (52)Mo 26 1283. 0.00000 4.56829 1283. RY (53)Mo 26 1284. 0.00000 3.54583 1284. RY (54)Mo 26 1285. 0.00000 4.20076 1285. RY (55)Mo 26 1286. 0.00000 4.14218 1286. RY (56)Mo 26 1287. 0.00000 5.07807 1287. RY (57)Mo 26 1288. 0.00000 4.21918 1288. RY (58)Mo 26 1289. 0.00000 26.74672 1289. RY (59)Mo 26 1290. 0.00000 3.73564 1290. RY (60)Mo 26 1291. 0.00000 4.75707 1291. RY (61)Mo 26 1292. 0.00000 3.91422 1292. RY (62)Mo 26 1293. 0.00000 4.16715 1293. RY (63)Mo 26 1294. 0.00000 5.19151 1294. RY (64)Mo 26 1295. 0.00000 5.24090 1295. RY (65)Mo 26 1296. 0.00000 5.00843 1296. RY (66)Mo 26 1297. 0.00000 4.80837 1297. RY (67)Mo 26 1298. 0.00000 38.76042 1298. RY (68)Mo 26 1299. 0.00000 8.41001 1299. RY (69)Mo 26 1300. 0.00000 4.79375 1300. RY (70)Mo 26 1301. 0.00000 4.19802 1301. RY (71)Mo 26 Checkpoint orbital transformation(s) sent to host program NBO analysis completed in 204869.48 CPU seconds (30988 wall seconds) Maximum scratch memory used by NBO was 14695565 words (112.12 MB) Maximum scratch memory used by G16NBO was 2556297 words (19.50 MB) Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1664151.pbs-7/Gau-1271554.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CYPTIS10 NAtoms= 26 NBasis= 1301 NBsUse= 1301 ICharg= 0 Multip= 1 NE= 164 Len12L=8 Len4L=8 IOpCl= 0 ICGU=111 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 ALPHA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1301 LenBuf= 4000 NRI=1 N= 1301 ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1692601 LenBuf= 4000 NRI=1 N= 1301 1301 Store file 10524 Len= 1692601. NPA CHARGES NI= 0 NR= 1 NTot= 26 LenBuf= 4000 NRI=1 N= 26 Recovered energy= -2446.13974159 dipole= -3.280109848804 -0.129467612454 0.540443634577 Unable to Open any file for archive entry. 1\1\GINC-CX3-5-22\SP\RMN15L\def2QZVPP\C10H10Mo1S5\RZEPA\06-Feb-2026\0\ \# def2qzvpp mn15l pop(savenbos,nbo7read)\\CYPTIS10\\0,1\C,0,-1.560787 ,0.75356,2.092465\C,0,-2.432175,-0.326559,1.710905\C,0,-1.653441,-1.53 246,1.594357\C,0,-0.317102,-1.196811,1.959992\C,0,-0.256892,0.189218,2 .255393\C,0,-1.135568,0.468411,-2.164994\C,0,-1.841561,1.521694,-1.483 384\C,0,-2.957449,0.937423,-0.841328\C,0,-2.970263,-0.467179,-1.140192 \C,0,-1.862728,-0.758682,-1.970561\H,0,-1.839931,1.790216,2.264755\H,0 ,-3.504735,-0.249513,1.550509\H,0,-2.017254,-2.518771,1.315944\H,0,0.5 35768,-1.870555,1.955654\H,0,0.649617,0.73063,2.514351\H,0,-0.205461,0 .577917,-2.716595\H,0,-1.559522,2.571486,-1.446205\H,0,-3.658548,1.455 722,-0.189313\H,0,-3.682859,-1.193295,-0.752132\H,0,-1.59973,-1.736714 ,-2.367437\S,0,0.727305,1.87293,-0.106378\S,0,2.576786,1.485243,0.6354 64\S,0,3.463212,0.121179,-0.621438\S,0,2.549319,-1.616148,-0.011396\S, 0,0.712237,-1.665802,-0.873753\Mo,0,-0.991698,-0.005887,0.034156\\Vers ion=ES64L-G16RevC.01\State=1-A\HF=-2446.1397416\RMSD=4.625e-09\Dipole= -3.2801099,-0.1294672,0.5404436\Quadrupole=3.0866446,-3.6727896,0.5861 45,-0.1617869,0.5809969,-1.0886471\PG=C01 [X(C10H10Mo1S5)]\\@ The archive entry for this job was punched. A MAN IS EXACTLY AS GREAT AS THE TIDE SURGING BENEATH HIM. - BISMARCK Writing WrtUnf raw file "Rawbinaryarray.baf" Gaussian matrix elements Version 2 NLab=11 Len12L=4 Len4L=4 Write SHELL TO ATOM MAP from file 0 offset 0 length 401 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 401 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 401 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 654 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 654 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 654 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1203 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 26 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 72 to matrix element file. Write BOND TYPES from file 0 offset 0 length 72 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 104 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 26 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 26 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 26 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 26 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 26 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 26 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 26 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 78 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 78 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 846951 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 846951 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 846951 length 846951 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 846951 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1692601 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2540853 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1301 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1692601 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 846951 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 846951 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 846951 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 846951 to matrix element file. No 2e integrals to process. Job cpu time: 44 days 14 hours 46 minutes 41.3 seconds. Elapsed time: 0 days 8 hours 54 minutes 13.5 seconds. File lengths (MBytes): RWF= 992 Int= 0 D2E= 0 Chk= 96 Scr= 16 Normal termination of Gaussian 16 at Fri Feb 6 17:31:11 2026.