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

opt of Geom

0,3 
Ni    2.0339186968    -0.0033293481    -1.2851100737
C    -0.6093406476    0.7423221142    -0.4048995013
C    0.6481643061    2.6445658389    -0.8282720611
C    -1.693168898    1.5208116384    -0.0087761457
C    -0.3976493328    3.4779957691    -0.4443614599
H    1.5996173562    3.0488470182    -1.1593191883
C    -1.6094551187    2.9210305786    -0.0200870419
H    -2.6090156136    1.0396337345    0.3103446131
H    -0.2480426582    4.5490529667    -0.4831430113
C    -0.6118453158    -0.739751483    -0.4092263884
C    -1.6886030833    -1.5159045243    0.008954326
C    -1.6119311902    -2.9163132601    -0.0112935562
H    -2.5911418632    -1.0312748954    0.3573884828
C    0.6280383368    -2.6452884178    -0.8683808799
C    -0.4135793269    -3.4763934517    -0.4682122272
H    1.5711468554    -3.0518588687    -1.2197908992
H    -0.270143893    -4.547888067    -0.5173783429
C    3.0956272356    -0.0414369149    0.3815555768
C    4.5029731451    0.0289751623    0.3602002781
C    2.4920949612    -0.1359760155    1.6504682993
C    5.2667792752    0.0071497769    1.5340654217
C    3.2402536105    -0.1586068043    2.8315805555
C    4.6354670046    -0.0868895067    2.7760532373
H    6.3522305255    0.0630550629    1.4784763811
H    2.7387500707    -0.2326461718    3.794802595
Cl    2.6426028799    0.0511777484    -3.496523109
N    0.5489606791    1.3127388445    -0.8115917392
N    0.5357215071    -1.3130719771    -0.8414296781
H    1.4061310625    -0.1948694456    1.7251408669
H    5.2230332312    -0.1045806488    3.6908666327
C    -2.8103701098    3.7609213066    0.4187492725
C    -2.8036269371    -3.7527925338    0.4578454816
C    -4.0073791615    3.4410659224    -0.5028118546
H    -3.7747517308    3.682156728    -1.5462428803
H    -4.2901070297    2.3844201688    -0.4533307914
H    -4.8770555041    4.0356161265    -0.2003955005
C    -3.168680802    3.3991486908    1.8764744143
H    -3.4338425198    2.3419601335    1.981537933
H    -2.329556477    3.6077906636    2.5498291596
H    -4.027570983    3.9948511064    2.2060038019
C    -2.5202732497    5.2675441356    0.343732641
H    -1.6899038306    5.5550141024    0.9983242625
H    -2.2815813067    5.5858284208    -0.6772013594
H    -3.4062685404    5.8244290915    0.6666798742
C    -4.0325529235    -3.4070131902    -0.410458017
H    -4.308002202    -2.3505341441    -0.3274260996
H    -3.8414598651    -3.6268298056    -1.4669303669
H    -4.8934608712    -4.0036213806    -0.0877323112
C    -3.1016513013    -3.4120280439    1.9343195388
H    -2.2406987435    -3.6437580037    2.5716001855
H    -3.347547457    -2.3532605349    2.0673073069
H    -3.9558658859    -4.0018858982    2.2859191457
C    -2.5308241006    -5.2602739756    0.3459586594
H    -2.3313452367    -5.5617330418    -0.6884767076
H    -1.6808075494    -5.567283735    0.9655030701
H    -3.4103140285    -5.8146813387    0.690279972
H    5.0246762686    0.102350516    -0.594232193



