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

opt of Geom

1,2 
Ni    1.529861793    -0.4413563676    -0.3678053992
C    -1.1115874976    0.7540317892    -0.0952268565
C    0.5152564698    2.3997421096    0.0556692742
C    -2.1152625367    1.7084294732    0.0322720338
C    -0.441989841    3.398422408    0.1985603092
H    1.5727166784    2.6339140178    0.0564723716
C    -1.8001699475    3.0669858005    0.1880290794
H    -3.1524849799    1.4029632123    0.0111970818
H    -0.1071704521    4.4209110718    0.3138556764
C    -1.3724229998    -0.6967941032    -0.2414041052
C    -2.6483663448    -1.2487082499    -0.1947245044
C    -2.8403666024    -2.6323037765    -0.3213740813
H    -3.5041463694    -0.6028731914    -0.0504553385
C    -0.4435581776    -2.7967267658    -0.5340176414
C    -1.6914390801    -3.4084970924    -0.4965731082
H    0.450547506    -3.3958091203    -0.6571006546
H    -1.7429491643    -4.4843464622    -0.6007301437
C    3.0861532764    0.6470638428    -0.4001401152
C    3.5588893158    1.1809314003    -1.6051762075
C    3.6819727861    1.0453512074    0.803543017
C    4.608828405    2.1060219853    -1.6059974735
C    4.7348117114    1.9668590228    0.8026489311
C    5.2005588812    2.4982610544    -0.4026883757
H    4.9651561959    2.5168848408    -2.5474523844
H    5.1893493239    2.2686598068    1.7431393549
N    0.1969594656    1.1073902476    -0.0863652695
N    -0.2724636845    -1.4750430714    -0.412118168
H    3.3263286939    0.644156721    1.750486163
H    3.115673756    0.8799664606    -2.5525230371
C    -2.9190903068    4.0990043688    0.3288834612
C    -4.2500104267    -3.2185683295    -0.2610934708
C    -3.7747590115    4.0786026925    -0.9566403396
H    -3.1720753624    4.3398815007    -1.833815122
H    -4.2230777059    3.0950458513    -1.131530761
H    -4.587477495    4.8086498715    -0.8708433091
C    -3.8000811046    3.7262844147    1.5412648407
H    -4.2727596387    2.7459645899    1.4191857999
H    -3.2111149148    3.7094971857    2.4652694586
H    -4.5974402094    4.4685764333    1.658456492
C    -2.3700996578    5.5185226079    0.5363615761
H    -1.7667909916    5.5913372079    1.4482801651
H    -1.7573777545    5.8455033499    -0.3110458187
H    -3.2052314288    6.2200348587    0.6325968987
C    -5.086158019    -2.6197358074    -1.4129263791
H    -5.1572489022    -1.5294221588    -1.3412829812
H    -4.6495149664    -2.8694121971    -2.386539228
H    -6.1032076738    -3.026126501    -1.3803764515
C    -4.8901387096    -2.8420281823    1.0928850649
H    -4.307209311    -3.2453681458    1.9285807737
H    -4.9658273537    -1.7574482258    1.2222576297
H    -5.9021440749    -3.2581958875    1.1499437195
C    -4.2445643235    -4.7482694459    -0.3976445482
H    -3.8203148574    -5.0693059033    -1.3555802436
H    -3.6789366305    -5.2271646001    0.4095014999
H    -5.2734153651    -5.1197884446    -0.3486882679
H    6.0198165413    3.211938424    -0.4042299638
C    2.685796567    -1.9941132463    -0.4614251956
O    2.3529758474    -2.4058329064    0.8515814238
C    3.5767715523    -2.5961245018    1.6118553659
C    4.6011018287    -3.0097418453    0.5638605062
C    4.1989943282    -2.1293745859    -0.6374305676
H    2.120556587    -2.580571396    -1.1955126474
H    3.8487314455    -1.6549810889    2.1022716362
H    3.3616307272    -3.3518867988    2.3699074805
H    5.6288435385    -2.8325392486    0.8916439933
H    4.4872174863    -4.0733230733    0.327710007
H    4.7119007045    -1.1694743296    -0.5862894853
H    4.4383134611    -2.5883777785    -1.6010744405



