%NProcShared=16 %Mem=44237MB %Chk=checkpoint.chk # opt freq scf(qc) scrf=(cpcm,solvent=dichloromethane) def2tzvpp mn15l WIQLUD 0 1 S -1.65453400 -1.77080600 -0.53597200 S -3.26141900 -0.85111400 0.36590700 S -3.37853800 0.93873000 -0.59576100 S -1.60540700 1.87643400 -0.11945700 N 1.74444200 1.54102100 -0.34823800 N 0.86420900 -0.33360000 1.68262500 N 1.73085700 -1.28809700 -0.89039700 C 1.50707400 2.74930300 -1.16037700 C 1.80415600 1.90398200 1.08469200 C 1.91586200 0.67486200 1.99357500 C -0.19236600 -0.31287200 2.71675700 C 1.41300000 -1.70490000 1.54935800 C 2.35693900 -1.83041000 0.34627700 C 1.30701500 -2.39394400 -1.76959700 C 2.63306400 -0.38498700 -1.63447700 C 2.97784200 0.86860800 -0.82817400 H 2.36221400 3.45052300 -1.07916100 H 1.38200900 2.45693300 -2.21516600 H 0.59259200 3.25627600 -0.82571900 H 0.86428500 2.44129700 1.31375800 H 2.64852800 2.59467100 1.29337000 H 2.90758100 0.20711800 1.90792000 H 1.82343700 1.00235700 3.04401900 H 0.21244800 -0.61731300 3.70162000 H -0.60224000 0.70747000 2.78520600 H -1.00196100 -0.99657400 2.41665800 H 0.54679800 -2.37479500 1.40731400 H 1.94239600 -2.01010000 2.47509100 H 3.31039400 -1.31658900 0.53684700 H 2.61119500 -2.89629200 0.20766100 H 0.68812900 -3.09836000 -1.19309500 H 0.70720600 -1.99497500 -2.60240100 H 2.18502500 -2.93667900 -2.17389300 H 2.09656800 -0.09045800 -2.55583700 H 3.56531400 -0.90742100 -1.93665800 H 3.63029600 0.62630700 0.02308300 H 3.56269200 1.55198200 -1.46929100 Ni -0.07828700 0.03332000 -0.25976400