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

opt of Geom

0,1 
Ni    -0.0267006068    7.5062422257    4.2367666956
C    -0.5072379021    6.705560059    6.9334783883
C    -2.3232444316    6.1486259045    5.6063398048
C    -1.1364418407    6.1729739148    8.0540439991
C    -3.0034560535    5.5971840241    6.6885083906
H    -2.7646154059    6.167952444    4.6157237525
C    -2.4123603802    5.5979700346    7.9562711119
H    -0.6353974693    6.2043952564    9.012956545
H    -3.9870891751    5.1772470917    6.5216727484
C    0.8391595977    7.3265680438    6.9571254622
C    1.6274096967    7.4243815111    8.0995021722
C    2.8951284281    8.0230585897    8.0484928758
H    1.2579849884    7.031535115    9.0382643971
C    2.4761530772    8.373477834    5.69643281
C    3.3112587155    8.5037266344    6.802686168
H    2.780501975    8.7348406071    4.7198461802
H    4.2750042401    8.97874961    6.6711168834
N    -1.1031529443    6.6902921759    5.7127105148
N    1.2665521919    7.8024858377    5.7581783619
C    -3.0898616733    5.0231912176    9.2020639589
C    3.7471056468    8.1192324527    9.3156859115
C    -2.1811946873    3.9387918252    9.8201702012
H    -1.9993392644    3.1257467719    9.1080588114
H    -1.2115546136    4.3436843262    10.1284382922
H    -2.6624676531    3.5133224621    10.7083016026
C    -3.2995035025    6.1624647537    10.2233114172
H    -2.3507170189    6.6234715263    10.5178092098
H    -3.9435199011    6.9465726447    9.8091369683
H    -3.7779886984    5.7693236216    11.1278416897
C    -4.4534586412    4.3938368682    8.879062055
H    -5.1543124426    5.1290360256    8.4681529899
H    -4.3605540491    3.568564294    8.1640240458
H    -4.8952168794    3.9913012089    9.7969422167
C    4.0265447768    6.6937000686    9.8394440697
H    3.1013801322    6.1609240994    10.0831669413
H    4.5726066224    6.1026418658    9.0953774328
H    4.635263347    6.7440058609    10.7496455583
C    2.9705529496    8.9178943776    10.3848001561
H    2.7508968533    9.9326958618    10.0339010191
H    2.022185593    8.4362959126    10.6452391736
H    3.5696421828    8.9948570766    11.2994608472
C    5.0891419913    8.820655885    9.0576716951
H    5.697451513    8.2790215475    8.3246019534
H    4.9489647964    9.8466430708    8.6991212424
H    5.6596136779    8.8694768502    9.9913836102
C    -0.696080037    6.083644338    1.8847294255
C    0.4606276003    5.6692182446    1.275614328
C    1.5961346799    6.5329138004    1.1662458558
C    1.5515859544    7.792420443    1.7069232662
C    0.4118065997    8.2482732974    2.4605035955
C    -0.7659722097    7.3731259137    2.5350502482
H    -1.5743083594    5.4431176753    1.8993964198
H    0.5063111871    4.6731446694    0.8408157171
H    2.470435611    6.197992142    0.6143842891
H    2.3769657857    8.4843874522    1.5468748951
H    0.2784860171    9.3269599951    2.551004572
Cl    -2.479339268    8.1797391697    2.331759556



