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

opt of Geom

1,2 
Ni    -1.2858642677    -1.0573273208    -0.7376902399
C    0.5403054558    1.0772916809    -0.2784953449
C    -1.6429537526    1.8736045862    -0.2047914103
C    1.0289297386    2.3502987125    -0.0123077116
C    -1.2084245125    3.1631674829    0.0751734583
H    -2.6977919781    1.6494577496    -0.2855407775
C    0.1592310586    3.4353705935    0.1731003553
H    2.0976017469    2.5043955722    0.054357277
H    -1.9533468607    3.9362484714    0.2097572525
C    1.4040522985    -0.1092939391    -0.4492254111
C    2.7885779184    -0.0891951538    -0.3278572218
C    3.5384295834    -1.2639391095    -0.4974785518
H    3.2944866299    0.8395275666    -0.099068685
C    1.4381222378    -2.3837792649    -0.9049047606
C    2.8244763369    -2.4288594546    -0.7964911617
H    0.8568913709    -3.2677557538    -1.1422460653
H    3.3240624081    -3.3765652347    -0.9485829457
C    -3.1629372493    -0.6463098578    -0.9738916861
C    -4.0692106044    -0.7701259498    0.0702171217
C    -3.5040479307    -0.0821452025    -2.1991575632
C    -5.3614224996    -0.2574453821    -0.1097576878
C    -4.7978381405    0.4275321789    -2.361390635
C    -5.7223817425    0.342815918    -1.3172599316
H    -6.0815735203    -0.3354549002    0.7005362339
H    -5.077238757    0.8823178483    -3.3078457493
Cl    -1.7620328472    -3.0157114245    -1.6655506984
N    -0.7974898482    0.8491130403    -0.3821493558
N    0.7416735912    -1.2569882303    -0.7291666567
H    -2.7858961691    -0.0212843093    -3.0125015627
H    -6.7265963968    0.7349434657    -1.4494472166
H    -3.7871876052    -1.240596414    1.0047402033
C    0.7204522416    4.8268574675    0.4594469371
C    5.059422194    -1.2253062913    -0.3514940083
C    1.6050804661    4.7632570923    1.7236830228
H    1.0244211624    4.4371462113    2.5940633117
H    2.4492322111    4.0771393051    1.5991228556
H    2.0112516974    5.7579510316    1.9375704152
C    1.5752290221    5.2706259413    -0.7484606798
H    2.4146977766    4.5901392039    -0.9260648429
H    0.9714077858    5.3145221088    -1.6618391043
H    1.985275029    6.2692968643    -0.5613929478
C    -0.3925366133    5.8609615537    0.6853792121
H    -1.0314405498    5.9716071987    -0.1978481609
H    -1.0254786714    5.5966655099    1.5399481011
H    0.0578450228    6.8368475855    0.893827763
C    5.4104108808    -0.7434119202    1.0735127523
H    5.0225156688    0.2611402772    1.2728333673
H    5.0033992928    -1.4240150165    1.8299612124
H    6.4990669003    -0.7119519479    1.1933709091
C    5.6371834081    -0.2373812576    -1.3885749891
H    5.3870146056    -0.5484560201    -2.4091036853
H    5.2606054842    0.7801149645    -1.239815636
H    6.7287757293    -0.2068930936    -1.2989575709
C    5.6947182131    -2.6053620213    -0.5773714681
H    5.3345267272    -3.3432724272    0.1481266877
H    5.4945845656    -2.9846948029    -1.5856352339
H    6.7805844501    -2.5274546353    -0.4611116018
O    -1.4041327189    -1.5482180794    1.2655025955
C    -1.2255167979    -0.579432329    2.3353563488
C    -1.3012998363    -1.4120801969    3.6059125757
C    -0.6074150362    -2.7114304667    3.1735266731
C    -1.0997914787    -2.8979843698    1.7408599723
H    -0.2480361464    -0.0982979791    2.2215813139
H    -2.3467528162    -1.6030111803    3.8724676488
H    -0.8093066497    -0.9195474102    4.4486530985
H    -0.8617928596    -3.5672395919    3.8038127396
H    0.480495062    -2.5818170163    3.1870982311
H    -2.0258795026    -3.4754216361    1.6802792504
H    -0.35663325    -3.3388549525    1.0764579549
H    -2.0137538425    0.1682261711    2.233717038



