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

opt of Geom

0 3
Ni    -1.4169855435    0.0934840149    -0.5747420674
C    -4.2444177388    -2.3519695541    0.5721531754
C    -3.4282056326    -0.9609591012    2.3576219061
C    -4.7414380469    -1.5086033114    1.7489620003
H    -4.8693234258    -3.2179277963    0.3401914643
H    -4.1116690902    -1.7441485756    -0.3285507838
H    -3.4627077504    -0.9023474912    3.4531461284
H    -3.2222967598    0.0466288495    1.977063321
H    -5.2640093846    -2.1419244442    2.4740484797
H    -5.4199327615    -0.7160716646    1.4225090215
C    -2.4009644798    -1.9374874442    1.8533843044
H    -1.5718629842    -2.336836981    2.4292846549
O    -2.951093371    -2.8534935261    0.9856710872
C    1.3248298328    -0.6563176374    -0.2353977817
C    -0.0054865911    -2.5249923284    -0.5542992488
C    2.4584401982    -1.4563744117    -0.121815361
C    1.0887451788    -3.3778326372    -0.4532713363
H    -1.0086135386    -2.913224536    -0.6907757595
C    2.3671039369    -2.8507851491    -0.2351410295
H    3.4206688445    -0.9934138592    0.058603853
H    0.9233367275    -4.4438301112    -0.5437704457
C    1.3395676891    0.8192256093    -0.1170805625
C    2.4939529929    1.5779366669    0.0582761491
C    2.4216040864    2.9751166522    0.1591348221
H    3.4563737973    1.0842491041    0.1129187815
C    0.0339183139    2.7288358197    -0.105938737
C    1.1465997499    3.5461069676    0.0753150403
H    -0.9646122617    3.1470169478    -0.1845036761
H    0.9998216333    4.6164080777    0.1440016114
N    0.0966171838    -1.1910903667    -0.4575561555
N    0.1168411685    1.3974697816    -0.1992551934
C    3.6244495423    -3.7142718662    -0.1136346241
C    3.7001232745    3.7966079675    0.3394574433
C    4.6278403245    -3.2979180465    -1.2107626718
H    4.2003877421    -3.4453112381    -2.2091793305
H    4.9191052291    -2.246359522    -1.118773721
H    5.5368837843    -3.9058773238    -1.1354342269
C    4.2575713717    -3.4880250053    1.2762581181
H    4.5434994676    -2.4419401951    1.4286829156
H    3.5614063565    -3.7691894109    2.0747404704
H    5.1605830589    -4.1009972073    1.3789281087
C    3.3150489707    -5.2104931791    -0.2742106298
H    2.6244033242    -5.5681956454    0.4976753826
H    2.8801743636    -5.4327015717    -1.2552287306
H    4.2425070982    -5.7861126261    -0.1831002221
C    4.6185705104    3.5624332403    -0.8795520169
H    4.8915216154    2.5072581404    -0.9866285566
H    4.1281489647    3.8812020085    -1.8064155527
H    5.5437493492    4.1394629946    -0.7664461598
C    4.4213771923    3.3351087771    1.6240029006
H    3.785503502    3.4800936595    2.5048399632
H    4.7004844932    2.2772754178    1.5773320017
H    5.3390488146    3.9176203427    1.7657544482
C    3.4089474487    5.3007093298    0.4528843183
H    2.9227472264    5.6900937915    -0.448607319
H    2.7705015432    5.5274659278    1.3141560307
H    4.3504343049    5.8449681572    0.5838396463
C    -3.1710372299    0.9212219219    -0.8186840891
C    -3.6702037808    1.9159280904    0.0590820525
C    -4.0880521435    0.5081187649    -1.8176994373
C    -4.9632874418    2.4433735507    -0.0342796001
H    -3.0329970088    2.292281516    0.8600423775
C    -5.3858847861    1.0214406969    -1.9284955522
H    -3.7858678158    -0.252720997    -2.5373028429
C    -5.833732259    1.9941353612    -1.0312498877
H    -5.2942483843    3.2029698775    0.672418286
H    -6.0484263765    0.6619189655    -2.7143635792
H    -6.8408211661    2.3973586491    -1.1093639921


