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

opt of Geom

0 2
Ni    -1.3411696295    -1.17578056    0.9176749108
C    0.5142963254    0.8994837407    0.4727081902
C    -1.6467282477    1.7334355783    0.4779882856
C    1.0244475936    2.1686189781    0.2015083372
C    -1.1967084717    3.0141382116    0.205674065
H    -2.7008695298    1.52609173    0.5915743545
C    0.1751080076    3.2655825083    0.0526904479
H    2.0925355653    2.2892152494    0.0952631224
H    -1.9283474181    3.8080764596    0.1092520151
C    1.3586842914    -0.3005580272    0.5979781612
C    2.7436268051    -0.3010910671    0.4654566219
C    3.4704603542    -1.4944165056    0.5782428389
H    3.2613136567    0.6267418501    0.2598655063
C    1.3491489808    -2.5872166424    0.9553997655
C    2.7337491827    -2.6552856467    0.8382540501
H    0.7477484241    -3.468769152    1.1445702908
H    3.2140462349    -3.6192112544    0.9453825691
C    -3.1865207793    -0.7702052843    1.0178766849
C    -3.7523465905    -0.3078473591    2.2190898468
C    -4.026495186    -0.8546954593    -0.1052427912
C    -5.0976767588    0.0710504215    2.2929547341
C    -5.3708750992    -0.4722377995    -0.0400357581
C    -5.9124543813    -0.0051758889    1.1604810711
H    -5.5084424851    0.4268163562    3.2357767785
H    -5.9964436841    -0.5425486517    -0.9277562944
Cl    -1.8056824069    -3.3255672211    1.2457309603
N    -0.8180952904    0.6796865492    0.6096137696
N    0.6681310088    -1.4419378724    0.8336284859
H    -3.6311220816    -1.224361753    -1.0488318509
H    -6.956993247    0.2914555832    1.2138348304
H    -3.1353378888    -0.2293753655    3.1130835231
C    0.6778192127    4.6716649903    -0.2727591938
C    4.9891060558    -1.4852254085    0.397761193
C    0.22632215    5.6375328112    0.8435661021
H    -0.8639447063    5.667047652    0.9390124414
H    0.6447021877    5.3411603082    1.812258154
H    0.5718282371    6.6530464352    0.618488251
C    2.2085708781    4.7306161093    -0.3874341638
H    2.6984020651    4.4356510556    0.5475482643
H    2.5816315004    4.0867633667    -1.1919754999
H    2.5167465877    5.7567541282    -0.6142938556
C    0.0633035891    5.1150861476    -1.6184937948
H    0.3578812525    4.4354887066    -2.4264921253
H    -1.0304873497    5.140121426    -1.5768983117
H    0.4134994797    6.12190937    -1.8736409346
C    5.6170564512    -0.5201230309    1.4259579731
H    5.2540292636    0.5050834083    1.2991182906
H    5.3910994204    -0.8368750061    2.4505126151
H    6.7062840316    -0.5067210465    1.305091761
C    5.3109518075    -0.9983403274    -1.0322693291
H    4.8721109029    -1.6668285777    -1.7818791255
H    4.9287204576    0.011569514    -1.2139154314
H    6.3963327866    -0.9804080353    -1.1841364774
C    5.6028353122    -2.879963854    0.5927416881
H    5.4106757719    -3.2717997178    1.597880856
H    5.2179936789    -3.6000838351    -0.1380235481
H    6.6884286877    -2.8209738257    0.4602516506
O    0.7117574881    -0.0681086335    -2.3930367653
C    -0.6255851755    0.1735887686    -2.6066327216
C    -1.3059544847    -1.0287765618    -3.1778261216
C    -0.3938801372    -2.1549013486    -2.6529439979
C    0.9751967007    -1.4730536222    -2.6349748012
H    -0.8580839135    1.2119071962    -2.8213570232
H    -1.3126175993    -1.0188319593    -4.2827885532
H    -2.3448654623    -1.1308893543    -2.8484063691
H    -0.4019032334    -3.0501786941    -3.280477359
H    -0.6930787336    -2.4335614766    -1.6376055647
H    1.4839083445    -1.5550988627    -3.6043364036
H    1.6466802393    -1.8311389219    -1.8525572915


