%nproc=24
%Mem=100GB
%Chk=h_Ni_PhI_add_OSS_rets_2_sptriplet
#p sp SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full

sp as triplet from ignacio ts structure

0 3
 Ni                -0.29723200    0.75225900    0.25707900
 P                  0.00769200    0.44789300   -2.00073400
 C                 -1.30551500   -0.54709000   -2.83998100
 C                 -2.61550100   -0.48756900   -2.34282700
 H                 -2.82791500    0.10892000   -1.46568600
 C                 -3.64135500   -1.21066400   -2.95462400
 H                 -4.65025000   -1.14914800   -2.55636500
 C                 -3.36631900   -2.01790400   -4.06175700
 H                 -4.16195900   -2.59031700   -4.53148400
 C                 -2.06142400   -2.09271200   -4.55830800
 H                 -1.83831600   -2.72258900   -5.41565400
 C                 -1.03750900   -1.36056000   -3.95321200
 H                 -0.02759500   -1.42999800   -4.34550700
 C                  1.51585600   -0.52096200   -2.43602800
 C                  1.66212200   -1.78269800   -1.83365400
 H                  0.90823800   -2.14300000   -1.14163300
 C                  2.76875800   -2.57858100   -2.12145400
 H                  2.86202600   -3.55153700   -1.64872200
 C                  3.76164800   -2.11387300   -2.99031300
 H                  4.63217900   -2.72908600   -3.20259000
 C                  3.63292100   -0.85440800   -3.57894900
 H                  4.40034900   -0.48610700   -4.25525200
 C                  2.51017800   -0.06361800   -3.31203000
 H                  2.41232200    0.90672300   -3.78999800
 P                 -1.73877800    2.51313600    0.53492500
 C                 -2.50765700    2.73414300    2.21553600
 C                 -2.46926600    3.95790900    2.90341300
 H                 -2.02370600    4.83258900    2.44314500
 C                 -2.99722000    4.06877600    4.19275700
 H                 -2.94865500    5.02404300    4.70921900
 C                 -3.58390200    2.96483300    4.81407200
 H                 -3.99301300    3.05311000    5.81706300
 C                 -3.63698100    1.74365600    4.13608400
 H                 -4.08923400    0.87427500    4.60615800
 C                 -3.09540000    1.62906800    2.85501500
 H                 -3.11706300    0.66596500    2.35660000
 C                 -1.02002700    4.19480300    0.25846700
 C                 -1.73256000    5.27971100   -0.27573500
 H                 -2.76687100    5.15939300   -0.58041300
 C                 -1.11718800    6.52506900   -0.42321900
 H                 -1.67809500    7.35335000   -0.84835200
 C                  0.20937200    6.70862500   -0.02297100
 H                  0.68587100    7.67827600   -0.14176300
 C                  0.91794500    5.64088500    0.53444800
 H                  1.94919500    5.76665800    0.85072400
 C                  0.30420600    4.39508900    0.67037400
 H                  0.86132100    3.56396900    1.08393000
 P                  1.75103800    0.68483600    1.35838500
 C                  1.61365500    0.78262400    3.19907800
 C                  0.37508900    1.12772000    3.75336200
 H                 -0.46646800    1.29858700    3.09289600
 C                  0.21499600    1.22826200    5.13807800
 H                 -0.75555800    1.49719900    5.54670900
 C                  1.29778000    0.97602100    5.98290300
 H                  1.17798200    1.04878400    7.06081800
 C                  2.53805700    0.62086700    5.43959800
 H                  3.38139600    0.41759400    6.09464900
 C                  2.69615900    0.52220400    4.05669600
 H                  3.66125600    0.24218300    3.64297700
 C                  2.91165100    2.06243400    0.93807700
 C                  3.36979400    3.00796800    1.86849100
 H                  3.08684900    2.93046200    2.91312400
 C                  4.18774200    4.06659000    1.46126700
 H                  4.53060300    4.79050500    2.19615000
 C                  4.56478000    4.19441000    0.12244700
 H                  5.19946000    5.01895400   -0.19122500
 C                  4.11805200    3.25483300   -0.81126900
 H                  4.40113800    3.34234400   -1.85704200
 C                  3.29601700    2.20318600   -0.40731600
 H                  2.95802000    1.47999800   -1.14211400
 C                  2.84899600   -0.80566000    1.20134000
 C                  2.31009400   -2.04423100    1.59061600
 C                  4.17196300   -0.76550700    0.73834700
 C                  3.07189000   -3.20914000    1.51392300
 H                  1.28916600   -2.09604200    1.95372400
 C                  4.93260400   -1.93561600    0.65651500
 H                  4.62176700    0.17425200    0.43810300
 C                  4.38756500   -3.16049700    1.04374400
 H                  2.63414000   -4.15651200    1.81473000
 H                  5.95478100   -1.88353900    0.29019900
 H                  4.97987900   -4.06951900    0.97892300
 C                 -3.19677500    2.50097900   -0.60872800
 C                 -3.00309100    2.86850100   -1.95342600
 C                 -4.44983100    1.99891100   -0.22634700
 C                 -4.03171500    2.73820100   -2.88522200
 H                 -2.04459400    3.25598900   -2.27829800
 C                 -5.47750300    1.86119500   -1.16464900
 H                 -4.63709000    1.71122800    0.80252600
 C                 -5.27346700    2.22807900   -2.49628600
 H                 -3.85501800    3.02654500   -3.91809300
 H                 -6.44043700    1.46923600   -0.84735600
 H                 -6.07308800    2.11749500   -3.22381000
 C                  0.13849600    1.95937800   -3.04818200
 C                  0.71209700    3.09304600   -2.45364000
 C                 -0.34777900    2.05352100   -4.36150100
 C                  0.80138000    4.29888200   -3.14982400
 H                  1.06324800    3.03572800   -1.43142400
 C                 -0.26756600    3.26290700   -5.05618300
 H                 -0.80550700    1.19290500   -4.83900400
 C                  0.30476600    4.38746800   -4.45295500
 H                  1.23643400    5.16741900   -2.66310100
 H                 -0.65690300    3.32729500   -6.06907200
 H                  0.35656700    5.32846100   -4.99445700
 I                 -1.49822600   -1.37237200    1.16386300
 C                 -1.01442700   -3.53541600    0.12960900
 C                 -1.39873600   -3.75953700   -1.18988800
 C                 -0.17601200   -4.41960000    0.80285900
 C                 -0.92536600   -4.89990000   -1.85241900
 H                 -2.04456900   -3.05897400   -1.70845700
 C                  0.29115200   -5.56035400    0.13497200
 H                  0.12338200   -4.22859800    1.83060500
 C                 -0.07818000   -5.79632800   -1.19324700
 H                 -1.21529600   -5.07891200   -2.88569200
 H                  0.94715900   -6.25861200    0.65098000
 H                  0.29374400   -6.67605700   -1.71236800

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        
****
I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
P C H 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        
I     0
I-ECP     3     46
f-ul potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-ul potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-ul potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-ul potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657



