%mem=100GB
%nprocshared=24
#P B3LYP/Def2TZVPP SCRF(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

opt of Geom

0,1 
Ni    -1.7528025822    -0.1631502434    -0.080182921
C    0.5613842875    1.4135632036    0.1032048349
C    -1.337276028    2.7466515787    -0.0127893906
C    1.3720012794    2.535971824    0.2223413363
C    -0.5767459063    3.9068252617    0.1049862679
H    -2.4149659209    2.7761884785    -0.1333474816
C    0.8135292535    3.8240152857    0.2325505041
H    2.4440281398    2.4109101444    0.3089124132
H    -1.0880720481    4.8605976151    0.093118156
C    1.0604692384    0.0200333958    0.0813900838
C    2.4023188792    -0.3327774902    0.1674359807
C    2.7907158859    -1.6811420521    0.1366707823
H    3.1521015446    0.4430749837    0.258685999
C    0.4421313961    -2.2099322892    -0.0612168579
C    1.767652971    -2.6276992697    0.0180943767
H    -0.3683644767    -2.925755885    -0.1478770542
H    1.9786631299    -3.6887476423    -0.0131946322
N    -0.7886706765    1.5251861515    -0.0061816196
N    0.086105751    -0.9199638677    -0.0326894343
C    1.717003545    5.0493689104    0.3820802944
C    4.2710312903    -2.0529429527    0.2350288316
C    2.4523723911    4.9624348977    1.7373787416
H    1.7398255417    4.9475443268    2.5699300016
H    3.0745490919    4.0639184345    1.8068261825
H    3.1055276646    5.833797609    1.8622337395
C    2.7499609044    5.059752521    -0.7651625106
H    3.3866517017    4.1690562684    -0.7497876977
H    2.2529370057    5.1063309718    -1.7407699639
H    3.4001283067    5.9370966044    -0.6708856764
C    0.9204598298    6.3622226481    0.338556247
H    0.3873318628    6.4829338931    -0.6111188123
H    0.1910203024    6.4230570974    1.1539101029
H    1.6081907966    7.2080118548    0.4444180397
C    4.8271343042    -1.5340724716    1.5789628797
H    4.7361920297    -0.4462468093    1.6649038664
H    4.2966000063    -1.9872253336    2.4241062274
H    5.8892609478    -1.7905666843    1.6650460016
C    5.0345045637    -1.3878204977    -0.9305591498
H    4.6516494004    -1.7323132498    -1.8979450616
H    4.952585699    -0.2963127692    -0.9020916266
H    6.0980550281    -1.6460066575    -0.8724683512
C    4.4912831902    -3.571503101    0.1638895087
H    3.993512505    -4.0945852078    0.9881006709
H    4.1279401648    -3.9909417403    -0.7810049835
H    5.5628972094    -3.7866346874    0.2331351207
C    -4.2288926869    0.1229617089    1.3048724879
C    -4.677924471    -0.9801121892    2.0032045787
C    -4.5403178388    -2.2930106482    1.4802663703
C    -3.9298240753    -2.487280884    0.2593282609
C    -3.3885016705    -1.3832279284    -0.4644579575
C    -3.5438195703    -0.0551181408    0.0692762472
H    -4.3654724199    1.1246612779    1.7019547076
H    -5.1461504421    -0.8402901543    2.9751107565
H    -4.9462027193    -3.1353042115    2.0336907078
H    -3.8961025662    -3.4796375777    -0.1857561353
H    -3.1454665397    -1.5297324251    -1.5161184491
Cl    -4.4197618712    1.4662590442    -1.3874050211



