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

opt of Geom

1,1 
Ni    1.5155977517    -1.3832270301    0.1116219379
C    -0.2755652343    0.6790152083    0.0414386785
C    1.916125991    1.473591238    0.1100959682
C    -0.7626670987    1.9764456929    0.0021720136
C    1.4749291193    2.7913905235    0.0792073397
H    2.9691144307    1.2358177479    0.1542301913
C    0.1080091104    3.07732098    0.0189969289
H    -1.832101161    2.1342896256    -0.0377636214
H    2.2187648664    3.5771142201    0.1037301298
C    -1.1217973551    -0.5280473102    0.0554072719
C    -2.5089959285    -0.5325549769    0.0101969792
C    -3.216676998    -1.7463855267    0.039182275
H    -3.0472241128    0.4050372979    -0.0463563921
C    -1.0689607992    -2.8488416089    0.1533839673
C    -2.4579686602    -2.9202524922    0.1142882824
H    -0.4579387545    -3.7446514463    0.2068995875
H    -2.9262416988    -3.8950605339    0.1413459785
C    3.3601209801    -1.296662576    0.0408359772
C    4.1183759506    -0.8273754263    -1.0436654448
C    4.0027530557    -2.0270263674    1.0563197816
C    5.4832580891    -1.114124477    -1.1302477543
C    5.3697994545    -2.3178108981    0.9666075898
C    6.1086185664    -1.8601731972    -0.1258703918
H    6.0592646785    -0.7580440717    -1.9806594898
H    5.8558674911    -2.8861527581    1.7555564398
N    1.0672736047    0.4334790756    0.085078269
N    -0.4142066002    -1.6828447224    0.1250877503
H    3.4448822214    -2.372226497    1.9264901871
H    7.1716126434    -2.0756677876    -0.1913502737
H    3.644795469    -0.2400389645    -1.8278779829
C    -0.4528710123    4.4971119577    -0.0218981999
C    -4.7448493477    -1.7408332447    -0.0123822322
C    -1.2729272259    4.6718283216    -1.3189576799
H    -0.647225887    4.5124448826    -2.2043215658
H    -2.1170363723    3.9759042376    -1.3668574901
H    -1.6753558578    5.6898813521    -1.3639421438
C    -1.3705201569    4.7074891956    1.2024625253
H    -2.2163961017    4.012111032    1.2066831081
H    -0.814867863    4.5753027321    2.1376344787
H    -1.7744169365    5.7258590576    1.1867113156
C    0.6603413502    5.5543206534    0.0066059144
H    1.2601976979    5.487968242    0.9210661462
H    1.3308638599    5.4616967213    -0.8550285802
H    0.2126631463    6.5528904724    -0.0258880014
C    -5.1976596316    -1.0556730395    -1.3202856108
H    -4.8469597055    -0.020468351    -1.3839510232
H    -4.8246099712    -1.5970020098    -2.1970348129
H    -6.292262209    -1.042160401    -1.3675973128
C    -5.2849648484    -0.9501870981    1.1996498632
H    -4.9654058984    -1.4089016793    2.1421497669
H    -4.9465742979    0.0911616533    1.194641306
H    -6.380371681    -0.9458943757    1.1763568483
C    -5.3287110652    -3.1610199126    0.0268989994
H    -4.995266506    -3.7622567538    -0.8263848757
H    -5.0580512954    -3.6877445511    0.9489281706
H    -6.4212712561    -3.1035750363    -0.0140230879



