%nprocshared=8
%mem=8000MB
%chk=BL_2nosty_relax_real
#p SCRF(SMD,Solvent=1,4-Dioxane) oniom(wB97xD/genecp:uff)  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full geom=(connectivity) IOP(1/8=3)

opt freq

0 1 0 1 0 1
 Ni-Ni4+2         0   -1.82621900   -0.59784500    0.12393100 H
 C-C_R            0   -2.27308200    1.19326800   -0.29611100 H
 N-N_R            0   -2.38739700    2.22638600    0.58232600 H
 C-C_R            0   -2.89086500    3.10230000   -1.36011600 H
 C-C_R            0   -2.79519500    3.39376800   -0.04823900 H
 H-H_             0   -3.14342900    3.71795700   -2.20769700 H
 H-H_             0   -2.95177600    4.31227000    0.49423900 H
 N-N_R            0   -2.58179100    1.75523700   -1.49713000 H
 C-C_R            0   -2.51708500    1.10683700   -2.78524400 H
 C-C_R            0   -1.25614900    0.75157300   -3.30763900 H
 C-C_R            0   -3.70810000    0.89816600   -3.51436800 H
 C-C_R            0   -1.21860200    0.12431600   -4.55852700 H
 C-C_R            0   -3.60138900    0.32603900   -4.78550600 H
 C-C_R            0   -2.37564300   -0.07653400   -5.29268900 H
 H-H_             0   -0.27685000   -0.20307700   -4.98890900 H
 H-H_             0   -4.48284400    0.16401100   -5.39815900 H
 H-H_             0   -2.32215200   -0.54747600   -6.26915900 H
 C-C_R            0   -1.99513600    2.17721100    1.96532700 H
 C-C_R            0   -2.83049000    1.53679900    2.89981800 H
 C-C_R            0   -0.77894300    2.78742600    2.34542400 H
 C-C_R            0   -2.41079200    1.49682900    4.23432400 H
 C-C_R            0   -0.42899900    2.75054400    3.70067300 H
 C-C_R            0   -1.22833100    2.10228800    4.63062000 H
 H-H_             0   -3.01110900    1.00061500    4.99081300 H
 H-H_             0    0.48590400    3.21848600    4.05240400 H
 H-H_             0   -0.92876000    2.07210300    5.67352600 H
 C-C_3            0    0.05165800    1.03753500   -2.57236100 L H-H_ 10   0.0000
 C-C_3            0    0.98817000    1.91366900   -3.41335600 L
 C-C_3            0    0.74281600   -0.26718400   -2.16159300 L
 H-H_             0   -0.12779100    1.61144800   -1.64375300 L
 H-H_             0    0.46520200    2.84381300   -3.72330200 L
 H-H_             0    1.87791000    2.20448400   -2.81424900 L
 H-H_             0    1.34131700    1.38173900   -4.32160000 L
 H-H_             0    0.04233400   -0.90763100   -1.58493000 L
 H-H_             0    1.09038200   -0.83615000   -3.04980500 L
 H-H_             0    1.62180700   -0.04927600   -1.51785000 L
 C-C_3            0   -4.16346600    0.91118200    2.50202400 L H-H_ 19   0.0000
 C-C_3            0   -5.32909900    1.58762000    3.23281400 L
 C-C_3            0   -4.16260700   -0.60046300    2.75595000 L
 H-H_             0   -4.36026900    1.05053200    1.42027700 L
 H-H_             0   -5.31378400    2.68256900    3.04392400 L
 H-H_             0   -6.29687800    1.18934100    2.85934500 L
 H-H_             0   -5.28033900    1.41253000    4.32842200 L
 H-H_             0   -3.30841600   -1.07915300    2.23344500 L
 H-H_             0   -4.08910800   -0.82976300    3.84005000 L
 H-H_             0   -5.09893200   -1.05395900    2.36592100 L
 C-C_3            0    0.14953700    3.47698900    1.34380300 L H-H_ 20   0.0000
 C-C_3            0    1.53618000    2.82408700    1.30254300 L
 C-C_3            0    0.26258300    4.97481100    1.64916700 L
 H-H_             0   -0.24052200    3.39440300    0.31168800 L
 H-H_             0    1.45160700    1.76656000    0.97789900 L
 H-H_             0    2.18080400    3.34465500    0.56197700 L
 H-H_             0    2.04020200    2.86650600    2.29059300 L
 H-H_             0   -0.74746800    5.43577200    1.68785800 L
 H-H_             0    0.77352700    5.15240400    2.61923400 L
 H-H_             0    0.84117800    5.48608500    0.85007600 L
 C-C_3            0   -5.08547700    1.27575600   -2.97158600 L H-H_ 11   0.0000
 C-C_3            0   -6.06162900    0.09043400   -2.99355600 L
 C-C_3            0   -5.66817300    2.45623800   -3.75720000 L
 H-H_             0   -5.01539200    1.59092900   -1.91092000 L
 H-H_             0   -5.62395200   -0.78757800   -2.47922700 L
 H-H_             0   -6.99895400    0.36127000   -2.46171300 L
 H-H_             0   -6.32969800   -0.20301300   -4.03013900 L
 H-H_             0   -4.96583200    3.31559300   -3.74596900 L
 H-H_             0   -5.86446200    2.17753300   -4.81465000 L
 H-H_             0   -6.62356500    2.78822300   -3.29713200 L
 C-C_R            0   -0.50674500   -0.71005500    1.40653400 H
 C-C_R            0    0.42067800   -0.54864500    2.43230200 H
 N-N_R            0   -0.86689300   -1.92590800    1.02999300 H
 C-C_R            0    0.94646600   -1.70495000    3.00601900 H
 H-H_             0    0.70750300    0.42818100    2.80061800 H
 C-C_R            0   -0.39520200   -3.05519200    1.54998500 H
 C-C_R            0    0.54854300   -2.96978200    2.56479100 H
 H-H_             0    1.67179800   -1.62448700    3.81133300 H
 H-H_             0   -0.77482700   -3.99325000    1.15893700 H
 H-H_             0    0.95562800   -3.87169800    3.00824900 H
 Cl-Cl--1.000000  0   -3.37925500   -1.66687500   -1.05308700 H

 1
 2 3 1.5 8 1.5
 3 5 1.0 18 1.0
 4 5 2.0 6 1.0 8 1.0
 5 7 1.0
 6
 7
 8 9 1.0
 9 10 1.5 11 1.5
 10 12 1.5 27 1.0
 11 13 1.5 57 1.0
 12 14 1.5 15 1.0
 13 14 1.5 16 1.0
 14 17 1.0
 15
 16
 17
 18 19 1.5 20 1.5
 19 21 1.5 37 1.0
 20 22 1.5 47 1.0
 21 23 1.5 24 1.0
 22 23 1.5 25 1.0
 23 26 1.0
 24
 25
 26
 27 28 1.0 29 1.0 30 1.0
 28 31 1.0 32 1.0 33 1.0
 29 34 1.0 35 1.0 36 1.0
 30
 31
 32
 33
 34
 35
 36
 37 38 1.0 39 1.0 40 1.0
 38 41 1.0 42 1.0 43 1.0
 39 44 1.0 45 1.0 46 1.0
 40
 41
 42
 43
 44
 45
 46
 47 48 1.0 49 1.0 50 1.0
 48 51 1.0 52 1.0 53 1.0
 49 54 1.0 55 1.0 56 1.0
 50
 51
 52
 53
 54
 55
 56
 57 58 1.0 59 1.0 60 1.0
 58 61 1.0 62 1.0 63 1.0
 59 64 1.0 65 1.0 66 1.0
 60
 61
 62
 63
 64
 65
 66
 67 68 1.5 69 1.5
 68 70 1.5 71 1.0
 69 72 1.5
 70 73 1.5 74 1.0
 71
 72 73 1.5 75 1.0
 73 76 1.0
 74
 75
 76
 77

Ni     0
S   1   1.00
      7.6200000              1.0000000
S   1   1.00
      2.2940000              1.0000000
S   1   1.00
      0.8760000              1.0000000
S   1   1.00
      0.1153000              1.0000000
S   1   1.00
      0.0396000              1.0000000
P   1   1.00
     23.6600000              1.0000000
P   1   1.00
      2.8930000              1.0000000
P   1   1.00
      0.9435000              1.0000000
P   1   1.00
      0.0840000              1.0000000
P   1   1.00
      0.0240000              1.0000000
D   3   1.00
     42.7200000              0.0372699
     11.7600000              0.1956103
      3.8170000              0.4561273
D   1   1.00
      1.1690000              1.0000000
D   1   1.00
      0.2836000              1.0000000
F   1   1.00
      3.1300000              1.0000000
****
C N H Cl 0
6-311+G**
****

NI     0
NI-ECP     2     10
d-ul potential
  3
1    469.9324331            -10.0000000
2     85.4236411            -69.4084805
2     21.2674984            -12.0951020
s-ul potential
  4
0    162.1686097              3.0000000
1    176.5333232             22.0253618
2     68.9562010            443.0181088
2     13.5792838            145.5696411
p-ul potential
  4
0     69.0181506              5.0000000
1    275.5955596              4.9882824
2     47.1315453            256.6945853
2     12.9874075             78.4754450


