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

opt of Geom

1,2 
Ni    1.3776800348    -1.4460211664    -0.0406950448
C    -0.4023119552    0.7618606085    0.0133215918
C    1.8071826878    1.5103398129    0.0615201769
C    -0.8586406721    2.0718163589    -0.0001333571
C    1.4004072959    2.8364433916    0.0495527567
H    2.8561561477    1.2507481435    0.0866926062
C    0.0381378612    3.1523722886    0.0088925838
H    -1.9240242014    2.2571720032    -0.0286708307
H    2.1619430069    3.604459623    0.0653689319
C    -1.2941783078    -0.4143915859    -0.0046201794
C    -2.6805003213    -0.3408651508    0.0241076791
C    -3.4575535574    -1.5112071273    0.0132461965
H    -3.1653421681    0.625792517    0.0591644896
C    -1.3755704431    -2.7336074116    -0.0674648185
C    -2.766394448    -2.7257205369    -0.0383434544
H    -0.8146384828    -3.6604833405    -0.1051376784
H    -3.2871981206    -3.6737385129    -0.0545342193
C    3.283597041    -1.1426248901    0.0317598358
C    3.969713751    -0.9090056197    -1.1520181303
C    3.8604604026    -1.0167790344    1.2880171272
C    5.2969856183    -0.4690042842    -1.0621717135
C    5.1887992175    -0.5749472098    1.3560423333
C    5.900201622    -0.2999293158    0.1862598041
H    5.8528054187    -0.2667776607    -1.9734756852
H    5.6595683213    -0.4538918298    2.3276430983
Cl    1.8577279478    -3.5479377334    -0.2321649232
N    0.9348364547    0.4887915257    0.038005056
N    -0.6543882471    -1.6084752302    -0.047723573
H    3.3060037049    -1.2360122703    2.1957938148
H    6.9308302555    0.036791917    0.2473518358
H    3.4990544313    -1.0479377164    -2.1205722043
C    -0.4880633722    4.5842746256    -0.0384231124
C    -4.9815199869    -1.4149132044    0.0657028267
C    -1.2822334405    4.7696715872    -1.3510826613
H    -0.6416923986    4.6037070941    -2.2245124942
H    -2.1318324806    4.0821821313    -1.4152510042
H    -1.6717305371    5.7923212542    -1.4016167062
C    -1.4215168608    4.8188084131    1.1694409306
H    -2.2837508407    4.1443003445    1.1596815821
H    -0.8856654045    4.676747263    2.1145524693
H    -1.8006317231    5.846190729    1.1425713336
C    0.6477730476    5.6171143401    0.0045579665
H    1.2340175294    5.537675183    0.926704104
H    1.327093884    5.5109163012    -0.8484849754
H    0.2213142651    6.62458673    -0.0335452787
C    -5.4738815528    -0.5919558705    -1.144662131
H    -5.073455216    0.4272287893    -1.1373759876
H    -5.1834073384    -1.0676590713    -2.0880996468
H    -6.5669326049    -0.5218056559    -1.1198938639
C    -5.3862644442    -0.7018596458    1.374883152
H    -5.0438887605    -1.2640726492    2.250941596
H    -4.9707251429    0.3095227676    1.4349356019
H    -6.4776248353    -0.6201692525    1.4263176645
C    -5.6494559398    -2.7976163128    0.0295030714
H    -5.4072483609    -3.3426955651    -0.8896087401
H    -5.3562815412    -3.414272787    0.8864917327
H    -6.7367042398    -2.6741991017    0.0660614654



