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

opt of Geom

0,3 
Ni    1.5642848733    -1.0410957442    -0.5893938413
C    -0.4907182832    0.9822200548    -0.229329552
C    1.5901923128    1.9742185947    -0.489088025
C    -1.0983066323    2.2301469334    -0.1382113711
C    1.0426891837    3.2513441486    -0.4064910136
H    2.6550703779    1.8197976925    -0.6256410471
C    -0.3358304908    3.4051141168    -0.2245320568
H    -2.1700135057    2.2935095661    -0.0049342977
H    1.7028062425    4.1050919533    -0.4867461557
C    -1.2270103494    -0.3037707927    -0.159814106
C    -2.600879427    -0.3993698718    0.0399077045
C    -3.2316388238    -1.6523093103    0.0816190122
H    -3.1885617993    0.501437846    0.1641850102
C    -1.0465232688    -2.6111213218    -0.2755933009
C    -2.4148412447    -2.7761146139    -0.0833594333
H    -0.3915533924    -3.4664022636    -0.410356872
H    -2.8195033935    -3.7795542675    -0.066044204
C    3.4428711059    -0.9840032611    0.0151073428
C    4.4932346125    -1.6618395193    -0.6361345798
C    3.7909028468    -0.2705803684    1.1822216433
C    5.806908344    -1.6368722053    -0.156263584
C    5.1002306126    -0.2359164213    1.6756615297
C    6.1152904575    -0.9222338315    1.0047146142
H    6.5917497083    -2.1710333283    -0.6884490728
H    5.3294581562    0.3274164061    2.5783031866
Cl    1.6124395731    -1.4154480506    -2.8857443328
N    0.8464376409    0.8684584905    -0.401624896
N    -0.462128939    -1.4102194851    -0.3115222951
H    3.0236335484    0.2850765193    1.7228914886
H    7.1357487265    -0.897471248    1.3797083698
H    4.2813208919    -2.2136581858    -1.5504073285
C    -1.0205973044    4.768655204    -0.1153376352
C    -4.7434208267    -1.7394502748    0.2978137437
C    -2.0828189605    4.8904168469    -1.2293377041
H    -1.6243733391    4.8015396171    -2.2206649689
H    -2.8570570217    4.120906639    -1.1424909891
H    -2.574479595    5.8678670009    -1.1662521363
C    -1.7066569061    4.8717012513    1.2644228812
H    -2.4642599485    4.0928111037    1.4018297823
H    -0.9744696807    4.7812160854    2.0748843551
H    -2.2034787479    5.8439914435    1.3597528673
C    -0.0228288887    5.9277544344    -0.257669237
H    0.7400473983    5.9072490045    0.5286825478
H    0.4825670605    5.9117651209    -1.2297769477
H    -0.5581396697    6.879741939    -0.176444649
C    -5.4567377013    -0.9914348313    -0.8495223029
H    -5.1759388116    0.0663305368    -0.8843157155
H    -5.214917052    -1.4393885992    -1.8199245762
H    -6.542255404    -1.0461146813    -0.7086192406
C    -5.0947743071    -1.0738650635    1.645892089
H    -4.5923604791    -1.5814080846    2.477241604
H    -4.8056411857    -0.0179813129    1.6671321381
H    -6.176108904    -1.1288388691    1.815729109
C    -5.2412285395    -3.1925122678    0.3216341605
H    -5.0405923898    -3.7070978665    -0.624718648
H    -4.77955625    -3.7674968771    1.1322579223
H    -6.3245106765    -3.2022050823    0.4821548944



