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

opt of Geom

0,1 
Ni    1.4190312926    -0.2790966166    -0.1831700832
C    -1.2244906301    0.7663347661    -0.0852006288
C    0.3488024349    2.4640148928    -0.2207345126
C    -2.2535850446    1.7005731396    -0.0059114385
C    -0.6351084234    3.4441401283    -0.1468431235
H    1.3999130888    2.7218795506    -0.3126518789
C    -1.9814519186    3.0758655408    -0.0339096484
H    -3.2771904652    1.3582421377    0.0825517839
H    -0.3331828364    4.4833966821    -0.1798647757
C    -1.4345807682    -0.7001934618    -0.0540738429
C    -2.6883516534    -1.3072286192    -0.026485194
C    -2.8072579098    -2.7040550626    0.0126237096
H    -3.5803099265    -0.69310971    -0.0366317993
C    -0.3939290715    -2.7663906206    -0.0138799623
C    -1.6136768056    -3.4360745868    0.0214287144
H    0.5462595442    -3.3108483935    -0.0051384923
H    -1.6128776703    -4.5181425281    0.0570143996
C    3.1305253096    0.422555109    -0.079288247
C    3.618446393    1.2831833954    -1.1238902244
C    3.5866860746    0.7454490048    1.2429502099
C    4.4200229807    2.3850746431    -0.8542685696
C    4.3755327649    1.8645945978    1.4966962841
C    4.8042661463    2.7032742544    0.4594915348
H    4.7447314595    3.0189147554    -1.6785730335
H    4.6707834698    2.082642564    2.5224154218
N    0.0759616179    1.1512189355    -0.1924121996
N    -0.293003398    -1.4329435598    -0.0515179079
H    3.3091314856    0.0866859622    2.061143172
H    5.4291166863    3.5685210708    0.6626960918
H    3.3370832494    1.0719281464    -2.1540516931
C    -3.1269922118    4.0868142076    0.056533447
C    -4.1927152733    -3.3545442791    0.040906794
C    -4.085225875    3.8683788893    -1.1342364049
H    -3.5651611284    4.014206564    -2.087978816
H    -4.5132744387    2.860293732    -1.1323282916
H    -4.9136218803    4.5847140821    -1.0841032168
C    -3.8927725416    3.8670020142    1.3791278894
H    -4.3232642329    2.8618328876    1.4391528103
H    -3.2316809116    4.0049282535    2.2423392681
H    -4.7142784291    4.5885250664    1.4593287611
C    -2.620653093    5.5367921879    0.0191396613
H    -1.9493016418    5.7544984209    0.8573562377
H    -2.0899008084    5.7583203477    -0.913588996
H    -3.4722055174    6.2224341494    0.0879022887
C    -4.9688932452    -2.9389659165    -1.2275705338
H    -5.0980501078    -1.8532989898    -1.2889813538
H    -4.4467760859    -3.2698982316    -2.1326861931
H    -5.9654543332    -3.3956793598    -1.2219526968
C    -4.952841017    -2.866416316    1.2929700574
H    -4.4187653705    -3.1441161946    2.2088857042
H    -5.0822599852    -1.7790840257    1.2927484767
H    -5.9489515156    -3.3228770365    1.3266082844
C    -4.1109823758    -4.8881696653    0.0846764344
H    -3.6004635451    -5.2936888446    -0.7961412717
H    -3.587539837    -5.242180042    0.9799878321
H    -5.1232102737    -5.3063385443    0.1041537026
C    3.1969317392    -1.3365853063    -0.3800638896
O    3.1633201161    -2.1303400769    0.8197484206
C    4.3218300951    -2.9856961596    0.8835422601
C    4.9254580765    -2.9727818193    -0.5195210327
C    4.6002348456    -1.5443169229    -0.969849479
H    2.4866111396    -1.7703058558    -1.1213835146
H    5.0273047399    -2.5818499071    1.6234377691
H    3.9994626349    -3.9786559753    1.2155083308
H    5.9982351254    -3.1889049636    -0.5155881741
H    4.42489224    -3.7077670894    -1.1609740427
H    5.3108837257    -0.8386509226    -0.524130061
H    4.6134357201    -1.4058854757    -2.0538325283



