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

opt of Geom

1,4 
Ni    1.3522006195    -1.5290756282    -0.8865114109
C    -0.3302359947    0.7327600617    -0.3687230234
C    1.8673953743    1.4412771004    -0.6776656401
C    -0.7485646478    2.0435067854    -0.1836806457
C    1.5059199602    2.7719698518    -0.5104240147
H    2.8945403326    1.1527125188    -0.8675429336
C    0.1691836163    3.1048531636    -0.2593330918
H    -1.7929581087    2.2470245719    0.0127358162
H    2.2749591684    3.5296057508    -0.5817456745
C    -1.230976314    -0.4415237388    -0.3271573367
C    -2.5930278735    -0.3694456645    -0.0675556552
C    -3.3788428096    -1.533626541    -0.0342248206
H    -3.0500897576    0.5948642685    0.1118955639
C    -1.3601183762    -2.7555545347    -0.5511199049
C    -2.7251741238    -2.7450268527    -0.2859326842
H    -0.8277322192    -3.6759096565    -0.7627815695
H    -3.2564560008    -3.6874631276    -0.2853789038
C    3.2917036399    -1.6626040519    0.2590662549
C    4.2709043084    -1.3993663235    -0.6871746536
C    3.2041630453    -1.0795735414    1.5152152117
C    5.1612413515    -0.353400151    -0.3885564639
C    4.1038682874    -0.0419869717    1.7839446343
C    5.0735049843    0.3116335868    0.8358288464
H    5.9299397515    -0.086374171    -1.1082133468
H    4.0526731921    0.4774676095    2.7366507708
Cl    1.7395492368    -3.3598285313    -2.1349635643
N    0.9734912274    0.4458348675    -0.6127630972
N    -0.6305659732    -1.6342886488    -0.566514186
H    2.4553694428    -1.3775441283    2.2431716991
H    5.7803102592    1.1030369979    1.0666730494
H    4.3392855413    -1.9519294609    -1.6180462624
C    -0.3147120782    4.5437890797    -0.0887401914
C    -4.8738368138    -1.4361217658    0.2686449391
C    -1.3196034813    4.8568479863    -1.2200774883
H    -0.8471255066    4.7583658377    -2.2038030323
H    -2.1870278448    4.1894715947    -1.1894335371
H    -1.6816483593    5.885669193    -1.11570926
C    -1.0162439969    4.6858601501    1.2792604224
H    -1.8900794965    4.0316306711    1.3634536993
H    -0.3303011204    4.4488401006    2.1003540478
H    -1.3592798614    5.7182571301    1.4083310391
C    0.8401007321    5.5538082317    -0.1589419679
H    1.5802371084    5.3807679258    0.630531041
H    1.3516302197    5.5209607443    -1.1272762468
H    0.4437308812    6.5658571503    -0.0277561336
C    -5.5393385752    -0.5296511067    -0.7898395931
H    -5.1197081357    0.4817562601    -0.7841797284
H    -5.4163782576    -0.9454516243    -1.7961631203
H    -6.6120124691    -0.4490194848    -0.5818682374
C    -5.0588115288    -0.816641012    1.6720223359
H    -4.5762721357    -1.4317142125    2.4399447929
H    -4.6438261253    0.1948835407    1.7334981087
H    -6.127170823    -0.7541091892    1.9068214606
C    -5.5591156964    -2.8106405721    0.2437729018
H    -5.4712046191    -3.2918769735    -0.7365764828
H    -5.1450671369    -3.4863269229    1.0004767351
H    -6.6253540194    -2.6859791434    0.4588835327



