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

opt of Geom

0,2 
Ni    -1.0886498153    -2.4023079954    1.0043761032
C    1.7601473315    -2.1476005754    1.5627862299
C    0.5430558262    -0.6407270895    2.8284197335
C    2.956613576    -1.6086588505    2.0306851093
C    1.7005362863    -0.0547883875    3.3325119301
H    -0.4433721832    -0.3003083084    3.1240523039
C    2.9524003447    -0.5371600131    2.935071512
H    3.8996789309    -2.0176805817    1.6911200638
H    1.6051886786    0.7680244749    4.0294308645
C    1.6839924186    -3.2750033852    0.6028972863
C    2.801911047    -3.9778356935    0.1591972755
C    2.6692639368    -5.0422409059    -0.7433546578
H    3.7836758489    -3.7008690186    0.5210388063
C    0.296442714    -4.6019613497    -0.6860596847
C    1.3707698939    -5.346668325    -1.1639884296
H    -0.7138195941    -4.8035348797    -1.0222568949
H    1.1746061651    -6.1518217496    -1.8603517444
C    -1.5365548644    -1.1249047793    -0.3740071154
C    -2.1171479685    0.0638970467    0.1013279091
C    -0.7870011545    -1.0762842791    -1.5597341147
C    -1.9136809957    1.2744121072    -0.5676182439
C    -0.5850264601    0.1336213211    -2.2281934008
C    -1.1454284291    1.3161037305    -1.7342982423
H    -2.3587617411    2.1857827699    -0.1747484609
H    0.005506862    0.1513207448    -3.1415245969
N    0.5652031808    -1.6595826415    1.9642029091
N    0.4369644679    -3.5885726775    0.1767235592
H    -0.3760265565    -1.9935763476    -1.9684961919
H    -0.9932639552    2.2559388988    -2.2582517176
H    -2.7116606263    0.0435571844    1.0103990724
C    4.2760172137    0.041272577    3.4403216971
C    3.9075153673    -5.8050956401    -1.2180199267
C    5.0544183763    -1.068233622    4.1798313572
H    4.4871285925    -1.4376272611    5.0417280965
H    5.2680735385    -1.9193957308    3.5246911898
H    6.0108339616    -0.6747043025    4.5431804988
C    5.1047098872    0.535024583    2.2349073256
H    5.3391916344    -0.2783823766    1.540408491
H    4.5660653502    1.311450619    1.6797997544
H    6.0526124873    0.9602420019    2.5844154429
C    4.0615551192    1.2183203214    4.4037030538
H    3.5268870974    2.0448497829    3.922216909
H    3.5003381901    0.9172594995    5.2953432983
H    5.033595145    1.5988827005    4.7355498268
C    4.6236474839    -6.4122682894    0.0077137951
H    4.9419073881    -5.6418514338    0.7177199733
H    3.9676595328    -7.1120193723    0.5379935432
H    5.5163386495    -6.9596269828    -0.3162286588
C    4.8567601283    -4.8218989485    -1.9366830712
H    4.3682879192    -4.3721091616    -2.8086571895
H    5.1828095532    -4.012121828    -1.2756132111
H    5.7507268413    -5.3536781388    -2.282413078
C    3.5487552321    -6.9400908629    -2.1891876966
H    2.8862048237    -7.6787915984    -1.7243002326
H    3.0619237024    -6.5617508975    -3.0951115391
H    4.4631457845    -7.4593743686    -2.4955530504
C    -2.6662836965    -2.9031077708    -0.2856084306
O    -2.4238476729    -3.4001016473    -1.5765296825
C    -3.3981756909    -2.8325497571    -2.4685887883
C    -4.6680729988    -2.742462806    -1.6265892514
C    -4.1130292659    -2.3949608294    -0.2282023642
H    -2.4979626664    -3.7422880352    0.4105188087
H    -3.0611544417    -1.8423872523    -2.8018695307
H    -3.4701266064    -3.4970131848    -3.3330584659
H    -5.3685016145    -1.9920856578    -2.0041250424
H    -5.1754317807    -3.7131322808    -1.6120176331
H    -4.1588406796    -1.320125783    -0.0464797623
H    -4.6635882584    -2.8868650849    0.5766619655
Cl    -2.5272292624    -2.2365070944    2.9113598059



