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

opt of Geom

1,2 
Ni    1.5080181215    0.0656348009    -0.8602356192
C    -1.1619698651    1.0183501604    -0.5625704239
C    0.2336573992    2.7287999646    -1.2828039941
C    -2.227224324    1.9073679202    -0.4650869897
C    -0.7934773614    3.6626624806    -1.2126441353
H    1.2313522289    3.017862402    -1.5977761016
C    -2.0665399426    3.2627911293    -0.7906999028
H    -3.1918405465    1.5502486164    -0.1296319272
H    -0.5813481951    4.6883964588    -1.4843881638
C    -1.2581631865    -0.4265773223    -0.24060149
C    -2.4400390437    -1.0527027733    0.142721609
C    -2.464638356    -2.4274971695    0.4233390271
H    -3.352152109    -0.475285421    0.2217975336
C    -0.105923147    -2.4331332148    -0.0919013661
C    -1.2548699209    -3.1167896741    0.2942229972
H    0.8459484626    -2.9401619694    -0.2013548564
H    -1.1849196284    -4.179410732    0.4873210681
C    2.997334035    -0.0409135947    0.3498555554
C    3.8150542604    1.1004128478    0.3849491598
C    2.9203798939    -0.8660117399    1.4783633831
C    4.5139102566    1.4284982688    1.5498703037
C    3.6210374702    -0.5361047    2.6409587592
C    4.4206684226    0.6097157277    2.6786707376
H    5.1367171126    2.3189329238    1.5710484821
H    3.5507325328    -1.1804450308    3.5133871856
N    0.0629985312    1.4377321188    -0.9683505013
N    -0.0980184252    -1.1202430972    -0.3511009691
H    2.3250889535    -1.7729317333    1.445391382
H    4.9759892295    0.8577171652    3.5787107825
H    3.9127936156    1.737416697    -0.4912091163
C    -3.2508345703    4.2227589133    -0.6704425182
C    -3.7725540799    -3.0986468809    0.8436404805
C    -4.3976180232    3.7203392589    -1.5742899569
H    -4.0842644304    3.684850262    -2.6238646086
H    -4.7371696118    2.7201431075    -1.2860009225
H    -5.2535000892    4.4001216391    -1.4965491764
C    -3.7250208608    4.2473897933    0.7991566318
H    -4.0516119993    3.2591884317    1.1393432972
H    -2.9244260475    4.5896284953    1.46464123
H    -4.5722915341    4.9346204487    0.9021625592
C    -2.8802425741    5.6524702684    -1.0923342618
H    -2.0867487858    6.0699859262    -0.462410626
H    -2.5520529545    5.6961083303    -2.1369375166
H    -3.7583994935    6.2988466578    -0.991976599
C    -4.8180872344    -2.9030880616    -0.2756319833
H    -5.0245307465    -1.8438836784    -0.4611499254
H    -4.4771443855    -3.3536631523    -1.2146935703
H    -5.7606328757    -3.3830794986    0.0109191938
C    -4.2781530066    -2.4367490565    2.143897448
H    -3.5487838367    -2.553483528    2.9534443145
H    -4.4693192009    -1.3669846122    2.0092209412
H    -5.2159677647    -2.9085313605    2.458275441
C    -3.5933548135    -4.603530045    1.0931644538
H    -3.2543316699    -5.1270203121    0.192203637
H    -2.875685019    -4.7999708796    1.8975031408
H    -4.5532451422    -5.0391011018    1.3897440218
C    3.0045820083    -1.2355141792    -1.4410640643
O    2.9435716832    -2.5199404343    -0.94026115
C    4.2738254159    -2.9877028824    -0.5762072644
C    5.2413417985    -1.8396534115    -0.8878499978
C    4.4392211419    -0.9763935232    -1.8729827932
H    2.2787351592    -1.143619778    -2.2771149469
H    4.2596695373    -3.2668602727    0.4801325728
H    4.4673488568    -3.8790523691    -1.1810425444
H    5.4733365876    -1.2721522365    0.0161985609
H    6.176495819    -2.2051477552    -1.3188948683
H    4.720359142    0.0772521202    -1.8628261907
H    4.5567317656    -1.3506367331    -2.8985639583



