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

opt of Geom

0,2 
Ni    -1.3905996332    -0.6097666958    0.1636919122
C    1.059820121    0.9768767505    -0.0853931056
C    -0.7897844304    2.3647859896    -0.0894144236
C    1.9118542856    2.0782175392    -0.1046305403
C    0.0057010212    3.5067224168    -0.1064613856
H    -1.8712308781    2.4353821934    -0.0782682343
C    1.3982449893    3.3825521551    -0.1135155697
H    2.9831074447    1.9265198756    -0.105327109
H    -0.4783842612    4.474769836    -0.1106896535
C    1.5411919042    -0.4240027875    -0.0697896278
C    2.8900934006    -0.7616775284    -0.1423562409
C    3.29885556    -2.1021953994    -0.1450989376
H    3.6323337277    0.0228541544    -0.2004270735
C    0.9558384174    -2.6561379691    -0.0030953361
C    2.2848250241    -3.0619906247    -0.0789175445
H    0.1629526929    -3.3933824736    0.0452025023
H    2.5025114967    -4.122240002    -0.0838012072
C    -3.0293426109    0.1539113297    -0.4749019402
C    -3.9435651804    0.8274096222    0.3462214294
C    -3.2370402531    0.179135648    -1.8613753588
C    -5.0340177924    1.5118091333    -0.2029603996
C    -4.3261703609    0.8619246463    -2.4168710407
C    -5.2291137982    1.5310570117    -1.5869241445
H    -5.7305781208    2.0319145842    0.4513600721
H    -4.4700292761    0.8673207465    -3.4952889339
Cl    -1.4000638601    -0.3932652402    2.5512293733
N    -0.2837983721    1.1283219404    -0.0790201809
N    0.5788109391    -1.374324122    0.0099577441
H    -2.550150689    -0.346426872    -2.523422417
H    -6.0768350771    2.0608770606    -2.0139428683
H    -3.7974850982    0.8195218678    1.4235149716
C    2.3508572146    4.5793541257    -0.1250696827
C    4.7858112114    -2.4496079738    -0.2330080531
C    3.2373908908    4.5244695167    1.1379935399
H    2.6274344453    4.5693830687    2.0472901276
H    3.8365087053    3.608646503    1.1769412631
H    3.9262577929    5.3770310888    1.1456958079
C    3.2411091944    4.5019071645    -1.3842485577
H    3.8423444126    3.5867857726    -1.4040390571
H    2.6342076367    4.5296747408    -2.2964646637
H    3.928906958    5.3550222488    -1.4058568064
C    1.5952857371    5.9166480682    -0.1380706893
H    0.9619023574    6.0174332423    -1.0265644382
H    0.9651990226    6.0356420063    0.7504057168
H    2.3158454093    6.7414838675    -0.1476167613
C    5.533105183    -1.7821928543    0.9418877743
H    5.4492048078    -0.6907370617    0.9132691395
H    5.1414205027    -2.1289099842    1.9047888719
H    6.598207863    -2.0361677234    0.8944121756
C    5.3414716252    -1.9103755495    -1.5692869258
H    4.8242789797    -2.3652538514    -2.4217983264
H    5.2310171633    -0.8234304083    -1.6452819968
H    6.4085933876    -2.1470143984    -1.6508245011
C    5.0281675183    -3.9652619426    -0.172268818
H    4.6583847806    -4.3979763376    0.764147248
H    4.5491319124    -4.488441564    -1.0075056929
H    6.1036300656    -4.1642153171    -0.2297273128
O    -2.2061274139    -2.8640939118    -1.1363514455
C    -2.2874332797    -2.3479874556    0.1804934349
C    -3.7022794785    -2.6069417285    0.7053955843
C    -4.2635560193    -3.6256717742    -0.3066249389
C    -3.526465845    -3.23013686    -1.5820710258
H    -1.5312277603    -2.8440939241    0.7981840095
H    -4.3101655986    -1.7015417659    0.705628402
H    -3.6756739345    -2.9913007169    1.7288459042
H    -5.3507709333    -3.5680105975    -0.4141282613
H    -3.9957768934    -4.649582306    -0.0210496971
H    -4.0043034431    -2.3717268571    -2.0703020602
H    -3.4107014848    -4.0379175699    -2.3101678395



