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

opt of Geom

0,1 
Ni    1.9566052276    0.0000463297    0.0000024298
C    3.2171058416    0.3900829671    1.589974695
C    3.3378601889    -0.9429126781    1.1763361382
C    3.3378340153    0.9430670086    -1.1763134792
C    4.4861610852    -1.4899568928    0.3350470874
C    3.2171422872    -0.38993396    -1.5899534123
H    2.6028844988    0.5930469403    2.4682320636
H    5.3909474314    -0.8968095895    0.5035442867
H    2.7827475523    -1.6861397589    1.7496465638
H    2.7826963266    1.6862700741    -1.7496307636
H    4.7310994217    -2.5067937426    0.6666291872
H    2.6029407315    -0.5929245259    -2.4682184591
C    4.1402452832    1.5204312078    1.1743101866
H    3.6273496246    2.4646226139    1.3991646401
H    5.067832166    1.5340537446    1.7720290124
C    4.4861009154    1.4901605076    -0.3350101628
H    5.3909146322    0.8970517572    -0.5034961006
H    4.7309999185    2.5070077966    -0.6665892871
C    4.1403251307    -1.5202424625    -1.1742774476
H    3.6274721251    -2.4644557098    -1.3991375738
H    5.067919733    -1.5338258639    -1.7719851462
C    -0.7743273925    -0.7324339304    -0.004764465
C    -1.9293135631    -1.5190800419    0.0328741557
C    -1.8562976637    -2.913366269    0.0183236238
H    -2.8968236041    -1.0335808212    0.080985413
C    0.5459269289    -2.6400452491    -0.0560195133
C    -0.5650821811    -3.4681466592    -0.0295871743
H    1.5480050071    -3.0549447553    -0.08803781
H    -0.4108680982    -4.5399940767    -0.0461441462
C    -0.7743630955    0.7323949471    0.0047287157
C    -1.9293870419    1.5189847463    -0.0329271299
C    0.5457974867    2.6400706576    0.0559984563
C    -1.856439485    2.9132745208    -0.0183784183
H    -2.8968724399    1.0334379777    -0.0810509299
C    -0.565251604    3.4681178985    0.0295487087
H    1.5478549695    3.0550189675    0.0880292943
H    -0.4110901732    4.5399728702    0.0461051295
N    0.4722236194    -1.2934600792    -0.0467827296
N    0.4721599487    1.2934819045    0.0467639459
C    -3.1357888067    3.7540514343    -0.058747566
C    -3.1356065017    -3.7542052686    0.0586764029
C    -2.8376641223    -5.261224075    0.0285590831
H    -2.3053896724    -5.5521545706    -0.8842162926
H    -2.2378663292    -5.5742906721    0.8906910295
H    -3.7788950982    -5.8211982446    0.0575024323
C    -4.0118374298    -3.4021433679    -1.1626686212
H    -4.9340354541    -3.9952571956    -1.1487441568
H    -4.2939992229    -2.3438815266    -1.1669560865
H    -3.4831271063    -3.6151894591    -2.0989598205
C    -3.9113953057    -3.4319959165    1.3538827664
H    -4.8350456284    -4.0214843392    1.3969613735
H    -3.3118302847    -3.6714319263    2.2397503551
H    -4.186102219    -2.373155148    1.4077501385
C    -3.9115571492    3.4317907121    -1.3539533851
H    -4.1862172824    2.3729371013    -1.4078088262
H    -4.8352335824    4.0212373765    -1.3970433875
H    -3.311999053    3.6712424257    -2.2398214094
C    -2.8379183967    5.2610847559    -0.028646041
H    -2.3056649962    5.5520516659    0.884129984
H    -2.2381286376    5.5741692295    -0.8907771343
H    -3.7791756512    5.8210139711    -0.0576034457
C    -4.0120077993    3.4019609964    1.1625979529
H    -4.2941185263    2.3436855019    1.1668958355
H    -3.4833112523    3.6150427485    2.0988888083
H    -4.9342342469    3.995030419    1.1486634259



