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

opt of Geom

1,2 
Ni    1.4154744595    -1.3972593273    1.1381957971
C    -1.0419927374    -0.1637667883    0.3653991709
C    -1.3899919409    -2.446038746    0.6554292936
C    -2.365684484    0.0171063692    -0.0118666043
C    -2.7259487643    -2.3283450843    0.2860494484
H    -0.9548026502    -3.4020692528    0.9255990228
C    -3.2470734847    -1.0766152829    -0.0613763746
H    -2.7164759585    1.0072397403    -0.2736994236
H    -3.3386383912    -3.2199299628    0.2741438175
C    -0.0371966939    0.9196400338    0.4415947432
C    -0.3031918788    2.2568547929    0.1811578547
C    0.7123041608    3.2232772982    0.2748317073
H    -1.3072935595    2.5518928737    -0.0957023524
C    2.1971005461    1.4210994394    0.8871909505
C    1.9855177058    2.7714849118    0.6419681712
H    3.1769321472    1.038493479    1.1516864898
H    2.8231750411    3.4496307199    0.7330510661
C    2.3056213899    -1.6357215657    -0.5746291954
C    3.6640999261    -1.3696970179    -0.6020934892
C    1.5483591107    -1.989396186    -1.6766704779
C    4.3033900783    -1.4390237785    -1.8478670552
C    2.2158668472    -2.0526221882    -2.9095848759
C    3.580953777    -1.7770113701    -2.9933605121
H    5.3686162578    -1.2340442056    -1.9049936031
H    1.6513581721    -2.3219708218    -3.7978306124
Cl    2.002484991    -3.352316989    1.858832956
N    -0.56960947    -1.3910664122    0.6906490576
N    1.2110829337    0.5204948571    0.7960384343
H    0.4895248153    -2.2075821911    -1.610301282
H    4.0857558197    -1.8327381113    -3.9529867079
C    -4.7003100775    -0.8656781924    -0.4833319754
C    0.4013091048    4.6897595099    -0.0199377628
C    -5.3642071689    0.1287026336    0.4943932237
H    -5.3500983354    -0.2596643532    1.518928366
H    -4.864929247    1.1032729529    0.4915491932
H    -6.4085605868    0.2867909868    0.2033584664
C    -4.7228294105    -0.2815401398    -1.9127997356
H    -4.2029841694    0.6805381744    -1.9693215452
H    -4.2508951728    -0.9676502144    -2.6251042502
H    -5.7598316832    -0.1219064696    -2.2282458913
C    -5.5000328302    -2.1768902598    -0.4721063049
H    -5.084488113    -2.9127555243    -1.1696010507
H    -5.5321216922    -2.6256146847    0.5270762977
H    -6.5311855506    -1.9737420367    -0.7788150434
C    -0.6584533046    5.1840865193    0.9893713883
H    -1.5909921599    4.615020819    0.9159762746
H    -0.2889081868    5.1035747053    2.0178021685
H    -0.8903153561    6.2363307942    0.790953335
C    -0.1564756854    4.8030040509    -1.4556635769
H    0.574392095    4.4462342315    -2.1900190596
H    -1.0788897476    4.2275625256    -1.584551472
H    -0.3815557543    5.8515958127    -1.6791218484
C    1.6479663487    5.5795716569    0.0973679988
H    2.0661301562    5.5649779226    1.1101123145
H    2.4314474818    5.2768032708    -0.6063432624
H    1.3750927493    6.614399625    -0.1331628887
H    4.2248831303    -1.12206355    0.2933582259



