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

opt of Geom

0,2 
Ni    1.315497179    -0.0667313728    0.7443508492
C    -1.1181094108    1.1048988043    -0.3859340962
C    0.3704731969    2.7748281529    0.1961476376
C    -2.0691004514    2.0551974169    -0.7526780749
C    -0.5370769803    3.7733542706    -0.144097389
H    1.3508873594    3.0227215196    0.5868481815
C    -1.7954114655    3.4257134771    -0.6456066835
H    -3.0380335289    1.7281819497    -1.1071566345
H    -0.2451408563    4.8066063373    -0.0076075796
C    -1.3836189097    -0.354440732    -0.4082915811
C    -2.5386764846    -0.9146386872    -0.9509909304
C    -2.7508812714    -2.299512818    -0.9040980277
H    -3.278441409    -0.2750760612    -1.4150101854
C    -0.619226268    -2.4422099673    0.2193087537
C    -1.7547659457    -3.06662021    -0.2907740938
H    0.1772525784    -3.0140392304    0.6813342464
H    -1.8401397873    -4.1423529083    -0.2039346752
C    3.1487762941    0.540920542    0.5040624036
C    3.4463242021    1.7265520916    -0.1955723846
C    4.0976779529    0.065813848    1.4325007683
C    4.6111636475    2.4484101619    0.0749887403
C    5.2602314786    0.7868540476    1.7007654911
C    5.5235158556    1.9866690795    1.0277074622
H    4.810752371    3.3692504401    -0.4686861471
H    5.9658543747    0.4126529125    2.4391958637
N    0.105334466    1.470735129    0.0660531272
N    -0.4282170226    -1.1214597039    0.1616421434
H    3.9111793226    -0.8679684397    1.9557595854
H    6.4325236679    2.5445945542    1.2349329636
H    2.7716020282    2.078534985    -0.9713957176
C    -2.8543475413    4.4539540039    -1.0489679637
C    -4.0237815785    -2.8980398578    -1.5066474452
C    -3.2217918971    4.2429318473    -2.5337703417
H    -2.3438009717    4.3703962331    -3.1774238921
H    -3.6344064368    3.2449142706    -2.7158737696
H    -3.9767230984    4.9772810077    -2.8374947149
C    -4.1093284417    4.2506049307    -0.1726129369
H    -4.5369743038    3.2504348528    -0.2985206127
H    -3.8722773901    4.3870454124    0.8885435022
H    -4.8777771979    4.982030474    -0.448427705
C    -2.3565574951    5.8961204022    -0.8673280582
H    -2.1078895134    6.1120288617    0.1777159875
H    -1.4727938594    6.1017101023    -1.4819110643
H    -3.1437409636    6.5938501171    -1.1725279072
C    -4.0756736603    -2.5534956532    -3.0106793189
H    -4.0862768887    -1.4716581299    -3.1801836078
H    -3.2111770793    -2.971466138    -3.5392761902
H    -4.9844114939    -2.9725055294    -3.458056111
C    -5.2504797917    -2.2869799132    -0.7960250716
H    -5.2326178893    -2.5080413811    0.2771855384
H    -5.2912759755    -1.1994368519    -0.9175871466
H    -6.1718579569    -2.7065785388    -1.2162559645
C    -4.0744930231    -4.4252315219    -1.350011118
H    -3.2357875327    -4.9142631332    -1.8581969388
H    -4.0622431141    -4.7264424204    -0.2965520705
H    -5.0003501779    -4.8064959378    -1.7940523622
C    2.5266470066    -0.9407978645    -0.7525606187
O    2.4466828058    -2.1905113678    -0.0794969221
C    3.5571258824    -3.031646486    -0.4651567685
C    3.9864491203    -2.4934849074    -1.8246986951
C    3.7976314254    -0.9821203814    -1.6157824995
H    1.6542552474    -0.8017627253    -1.4015771389
H    4.3600749097    -2.9426364524    0.2777167487
H    3.1954408919    -4.063373174    -0.4785142982
H    5.0166955471    -2.7593547207    -2.0784195397
H    3.3220487709    -2.8730933208    -2.6094559606
H    4.6669827148    -0.577157257    -1.0933464377
H    3.6641552881    -0.4209736994    -2.5444090372
Cl    0.9184716689    -0.0342872418    3.0710894342



