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

opt of Geom

0,2 
Ni    -0.0003854362    2.794175659    -0.0002513223
C    -0.7402125096    0.051717938    -0.005913417
C    -2.6368462213    1.3803629528    -0.0569955293
C    -1.5203087291    -1.0997006006    0.0188635621
C    -3.4727845344    0.2678592481    -0.0437823999
H    -3.0433738357    2.38638318    -0.0832838031
C    -2.9208026703    -1.0171620281    -0.0021894238
H    -1.0409733656    -2.0698232156    0.06002007
H    -4.5434395833    0.4252778158    -0.062969582
C    0.7402687127    0.0519424599    0.0058729252
C    1.5207112434    -1.0992446798    -0.0187286266
C    2.9211802415    -1.0162814946    0.0023087812
H    1.0416673584    -2.0695177197    -0.059736969
C    2.6365025997    1.3811660372    0.0567499288
C    3.472775771    0.2689117865    0.043705525
H    3.0427275923    2.3873124923    0.0828838578
H    4.5433834904    0.4266551877    0.0628687528
N    -1.3008702466    1.2873506298    -0.037914513
N    1.3005545692    1.2877489838    0.0376832142
C    -3.7622636426    -2.2947158177    0.0228466383
C    3.7630236481    -2.293586289    -0.0225372153
C    -3.3989607251    -3.1589590727    -1.2040556253
H    -3.6040671108    -2.6222354865    -2.1373279935
H    -2.3417584844    -3.4447259475    -1.2015772053
H    -3.9950207222    -4.078785041    -1.2007909836
C    -3.4440962588    -3.0773621395    1.3151681927
H    -2.3862107853    -3.3547809891    1.3717616954
H    -3.6880665215    -2.4840421148    2.2037403242
H    -4.0354977543    -3.9996882894    1.3468573078
C    -5.2685900536    -1.9960830711    -0.0142923273
H    -5.5871695666    -1.4037025065    0.8508008663
H    -5.554073031    -1.4577050848    -0.9250776831
H    -5.8268133457    -2.9382391398    0.0040626245
C    3.4450971843    -3.0765119232    -1.3147488287
H    2.387289538    -3.3542304371    -1.3713227576
H    3.68891915    -2.4832543276    -2.2034034074
H    4.0367552893    -3.9986785312    -1.3462918009
C    3.3999738457    -3.1577612264    1.2044879308
H    3.6049082757    -2.6208386872    2.1376836277
H    2.3428594054    -3.4438516958    1.2020428513
H    3.9963146581    -4.0774056529    1.2013630512
C    5.2692604761    -1.9944979672    0.0145672428
H    5.5876678983    -1.4021470954    -0.8506093922
H    5.5545772689    -1.4559028088    0.9252763278
H    5.8277652508    -2.9364899884    -0.0036487249
Cl    -0.0007303332    4.993666698    -0.000473767



