%nprocshared=24
%mem=115GB
%chk=NidppfSbPh32_bb_m06
#p m06/genecp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp scrf(smd,solvent=benzene)

Ni(dppf)(SbPh3)2

0 1
 Ni                 0.06541000    0.19921700   -0.02416500
 Fe                 2.37762700    3.03541800   -1.99181300
 P                  1.38284300    1.65803500    0.99429900
 P                  0.14078000    0.43945200   -2.22370000
 C                  2.67052100    2.47100900   -0.03068400
 C                  0.80550700    2.02607700   -2.86315500
 C                 -1.47301600    0.31642900   -3.12382500
 C                 -2.31686200   -0.74889600   -2.77142600
 H                 -1.99187000   -1.46386800   -2.02304900
 C                 -3.57848800   -0.88413100   -3.34785600
 H                 -4.22291100   -1.70081000   -3.03509100
 C                 -4.01617000    0.05053300   -4.29084900
 H                 -5.00583300   -0.04062900   -4.73073700
 C                 -3.17897700    1.10515000   -4.66251200
 H                 -3.51268000    1.83154900   -5.39946300
 C                 -1.91056800    1.23578100   -4.08876600
 H                 -1.26883200    2.06115700   -4.38214900
 C                  1.17499900   -0.73592100   -3.22507700
 C                  0.81869900   -1.17973400   -4.50830000
 H                 -0.09734500   -0.82539300   -4.97055700
 C                  1.63033100   -2.08876000   -5.19127800
 H                  1.33668100   -2.43286900   -6.17987600
 C                  2.81227600   -2.55750700   -4.61015100
 H                  3.43594900   -3.27072300   -5.14273600
 C                  3.18228600   -2.11234700   -3.33913600
 H                  4.08562000   -2.48030700   -2.86137500
 C                  2.36379300   -1.21145400   -2.65757800
 H                  2.62945600   -0.89858000   -1.65682700
 C                  0.38740200    3.32715700   -2.42249100
 H                 -0.37867500    3.52565200   -1.68868000
 C                  1.17142000    4.30731100   -3.09672200
 H                  1.12056400    5.37669500   -2.93836800
 C                  2.08451400    3.62582400   -3.95613800
 H                  2.85272000    4.08691900   -4.56347800
 C                  1.85617000    2.22540100   -3.82039600
 H                  2.41131900    1.43681600   -4.30858600
 C                  3.58589600    1.78215100   -0.89634900
 H                  3.64213300    0.71246100   -1.02785300
 C                  4.38598300    2.74906200   -1.57088800
 H                  5.13406100    2.53712600   -2.32368800
 C                  3.97249400    4.04375500   -1.13556700
 H                  4.34936400    4.98976700   -1.50251300
 C                  2.92476900    3.87515300   -0.18396000
 H                  2.37112100    4.66478500    0.30418600
 C                  0.63170400    3.17082200    1.77013600
 C                  1.10892900    3.74915800    2.95690100
 H                  1.96681200    3.31878100    3.46393800
 C                  0.47707400    4.87066500    3.49951700
 H                  0.85048500    5.30156700    4.42518100
 C                 -0.62969700    5.43742800    2.86073200
 H                 -1.12218000    6.30544800    3.29119000
 C                 -1.10439600    4.87749800    1.67259400
 H                 -1.97524100    5.29013100    1.17163600
 C                 -0.47573000    3.75194800    1.13967800
 H                 -0.86878700    3.29519000    0.24148700
 C                  2.38304300    1.01547200    2.41454100
 C                  1.71228000    0.21525200    3.35317700
 H                  0.64993300    0.02938000    3.23620300
 C                  2.39753100   -0.36814400    4.41730700
 H                  1.85943900   -1.00689000    5.11200500
 C                  3.77232900   -0.15738800    4.55840800
 H                  4.31480400   -0.62397300    5.37648200
 C                  4.44761200    0.65171900    3.64156200
 H                  5.51567200    0.82353700    3.75034100
 C                  3.75765100    1.24217700    2.57833500
 H                  4.29282700    1.86662800    1.86934100
 C                  2.75687800   -2.79106000    0.28584700
 C                  3.06262900   -4.02487500   -0.30495400
 C                  3.80925400   -1.93241100    0.64147400
 C                  4.39181400   -4.38986700   -0.54180900
 H                  2.26398100   -4.70168600   -0.59672500
 C                  5.13725500   -2.29508300    0.40482000
 H                  3.60066500   -0.97369600    1.10708400
 C                  5.43141300   -3.52473600   -0.19181700
 H                  4.61336600   -5.34832700   -1.00546000
 H                  5.93878000   -1.61696000    0.68777800
 H                  6.46399500   -3.80720000   -0.38102400
 C                 -0.25684100   -3.77348000   -0.40402100
 C                 -0.87693200   -4.81227500    0.30725500
 C                 -0.36762800   -3.75675700   -1.80462800
 C                 -1.60144500   -5.80252000   -0.36449000
 H                 -0.80851800   -4.84610500    1.39162800
 C                 -1.08531000   -4.74869000   -2.47640000
 H                  0.10372400   -2.96819800   -2.38342700
 C                 -1.70936400   -5.77123900   -1.75714100
 H                 -2.08020100   -6.59796300    0.20199900
 H                 -1.16137200   -4.71506700   -3.56037200
 H                 -2.27577600   -6.53897300   -2.27820700
 C                  0.52545400   -2.87228300    2.61142800
 C                  1.48828200   -3.70597800    3.19898300
 C                 -0.56371500   -2.45204200    3.38835600
 C                  1.36698600   -4.09849300    4.53510900
 H                  2.34625100   -4.04008200    2.62168500
 C                 -0.68742200   -2.83889800    4.72489300
 H                 -1.31801200   -1.79468000    2.96900100
 C                  0.28306700   -3.66197300    5.30221000
 H                  2.12504400   -4.73947700    4.97921900
 H                 -1.53272100   -2.48148800    5.30695600
 H                  0.19707600   -3.96048600    6.34410300
 C                 -3.37876000    2.27130800    0.30461900
 C                 -3.30449500    2.78044600   -1.00170900
 C                 -4.11706800    2.97805400    1.26390800
 C                 -3.94743800    3.97340200   -1.34028000
 H                 -2.74459300    2.24876800   -1.76552600
 C                 -4.76215300    4.17217200    0.92628100
 H                 -4.18035300    2.60777900    2.28373500
 C                 -4.67537800    4.67466600   -0.37439200
 H                 -3.87892500    4.35188800   -2.35733300
 H                 -5.32731200    4.71221300    1.68235800
 H                 -5.17283600    5.60565500   -0.63438600
 C                 -3.84285000   -0.91923600    0.24707200
 C                 -5.14457900   -0.50053400   -0.06496400
 C                 -3.53020200   -2.28168300    0.13500300
 C                 -6.10457600   -1.42373600   -0.48942100
 H                 -5.41154200    0.55046600    0.00604200
 C                 -4.48501300   -3.20733000   -0.29226100
 H                 -2.52889600   -2.63660000    0.35518400
 C                 -5.77614100   -2.77703000   -0.60943700
 H                 -7.10794400   -1.08332700   -0.73458400
 H                 -4.20730500   -4.25364500   -0.38818200
 H                 -6.52197600   -3.49102400   -0.95000600
 C                 -2.64217600    0.48509100    2.91221100
 C                 -3.59470800   -0.35316900    3.51170300
 C                 -1.83056600    1.28093700    3.73802500
 C                 -3.72350700   -0.40391500    4.90369700
 H                 -4.23230400   -0.98122100    2.89475800
 C                 -1.96285400    1.23554000    5.12744300
 H                 -1.08648500    1.94152300    3.30355500
 C                 -2.90628900    0.38814200    5.71423700
 H                 -4.46318400   -1.06259600    5.35295800
 H                 -1.32244700    1.85716500    5.74822100
 H                 -3.00433600    0.34516200    6.79604300
 Sb                -2.27077900    0.47213700    0.77741500
 Sb                 0.72200600   -2.11607200    0.59160100

Sb     0
S   2   1.00
      0.5863000             -4.7537662
      0.4293000              5.1096593
S   1   1.00
      0.1078000              1.0000000
P   2   1.00
      1.1110000             -0.1811707
      0.2365000              1.0791649
P   1   1.00
      0.0800000              1.0000000
P   1   1.00
      0.0220                 1.0
D   1   1.00
      0.2070                 1.0
****
Ni Fe P C H 0
6-311+G(d,p)
****

SB     0
SB-ECP     3     46
f potential
  6
0    227.2723558             -0.0692261
1     77.1429882            -31.5434712
2     26.0116501           -115.8407306
2      9.1421159            -42.0224212
2      2.9281082            -20.0463938
2      0.9231136             -2.8796028
s-f potential
  5
0    116.0010888              2.9331303
1     59.6755065             44.1104819
2     27.6135849            228.0198050
2      7.8045081             92.5610162
2      1.6934418             31.2537244
p-f potential
  5
0     27.8050796              4.9947369
1     10.3929685             38.0223860
2      3.6381067             62.0520654
2      1.9839681            -49.5489389
2      1.5546562             51.3666000
d-f potential
  5
0     83.2183030              2.9738470
1     30.3070501             41.6495825
2     13.2014120            104.5919562
2      3.6961611             42.3187857
2      0.7711144              7.9413503






























