%nproc=8
%Mem=24000MB
#p SCRF(SMD,Solvent=acetone) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC)

Title Card Required

-1 1
 C                  0.70335900   -4.93001200    1.12082500
 C                  1.39113300   -7.03201200    0.49077100
 C                  2.47354900   -6.21669000    0.41463800
 H                  1.27375800   -8.08338500    0.27689000
 H                  3.49540900   -6.40919900    0.12369100
 N                  2.03885800   -4.94827900    0.79354400
 N                  0.33008300   -6.23922400    0.92206700
 C                  2.83525600   -3.75591300    0.68712600
 C                  3.43265100   -3.22322600    1.84412000
 C                  2.95527800   -3.14867800   -0.58002500
 C                  4.13560500   -2.01588000    1.71650200
 C                  3.68180300   -1.95260100   -0.65999300
 C                  4.25574000   -1.38308500    0.47866600
 H                  4.59129900   -1.56755000    2.59536000
 H                  3.79296800   -1.45712200   -1.62101400
 H                  4.80291500   -0.44641300    0.39907500
 C                 -1.03657100   -6.68028000    1.00357500
 C                 -1.49501200   -7.27725400    2.19549200
 C                 -1.87092100   -6.46727400   -0.11131400
 C                 -2.84120700   -7.66316400    2.25117100
 C                 -3.21366700   -6.85803600   -0.00079100
 C                 -3.69547700   -7.44836900    1.16677800
 H                 -3.23297500   -8.12247100    3.15390000
 H                 -3.88988000   -6.68688800   -0.83344300
 H                 -4.74160200   -7.73793100    1.23583700
 C                  2.35263200   -3.76757900   -1.83708500
 H                  1.73642700   -4.61877700   -1.53670900
 C                  3.32718900   -3.91151100    3.19894800
 C                 -0.55436500   -7.51588300    3.37043400
 C                 -1.36612300   -5.82326900   -1.39862600
 Ni                -0.40114000   -3.47548000    1.75735900
 C                 -0.89985400   -1.42006900    3.53163700
 C                 -0.59113200   -1.47041100    4.91281500
 C                 -0.43030000   -0.27277700    2.83647800
 C                  0.12374000   -0.47366600    5.57328700
 H                 -0.94338200   -2.32622300    5.48122900
 C                  0.27645300    0.74145800    3.50484900
 C                  0.55995100    0.65314000    4.86653300
 H                  0.32654500   -0.56868600    6.63793900
 H                  1.11279600    1.44732600    5.36174400
 H                  0.61398700    1.60304400    2.93324800
 N                 -0.65966900   -0.01801100    1.44987700
 H                 -0.87126600    0.95867200    1.24725800
 C                 -0.48699600   -0.79841600    0.35757800
 C                 -0.67403300   -0.10180100   -0.97212700
 H                 -1.11633500    0.89382400   -0.87492100
 H                  0.30162400   -0.00738400   -1.46314300
 H                 -1.31109700   -0.72037300   -1.61193100
 O                 -0.19067300   -2.00942700    0.37337000
 I                 -2.33147800    3.37544000    1.12269800
 H                  0.26254500   -6.79120400    3.28839100
 H                 -0.28307400   -5.69763400   -1.31649800
 H                  2.82273500   -4.87079200    3.05119200
 C                 -1.67348000   -2.52242200    2.89184500
 C                 -1.46926200   -3.87270800    3.35177000
 H                 -2.26257400   -4.60865800    3.22325500
 H                 -0.85809400   -4.07105000    4.23421400
 C                 -2.98065100   -2.10614000    2.20571600
 H                 -3.61518600   -1.56275300    2.92936400
 H                 -2.76763700   -1.37981600    1.41252400
 C                 -3.80720200   -3.24859600    1.59801900
 H                 -3.14642000   -3.90902700    1.02385100
 H                 -4.23728600   -3.86830400    2.39747600
 C                 -4.93385400   -2.74691700    0.68753500
 H                 -4.49366900   -2.17669500   -0.14518800
 H                 -5.57196800   -2.04021800    1.24089200
 C                 -5.80088500   -3.87833300    0.12110800
 H                 -5.15726300   -4.59127300   -0.41431900
 H                 -6.25351100   -4.44091200    0.95257600
 C                 -6.90892200   -3.39238900   -0.82148700
 H                 -6.45611300   -2.82547200   -1.64870700
 H                 -7.56016900   -2.68728600   -0.28387000
 C                 -7.75388600   -4.53775100   -1.39085900
 H                 -8.53687100   -4.16590600   -2.06471600
 H                 -7.13126100   -5.24229900   -1.95916800
 H                 -8.24572800   -5.10325300   -0.58753700
 C                  2.46345200   -3.08346400    4.16439700
 H                  2.35107000   -3.60294700    5.12503400
 H                  2.91167900   -2.10088300    4.35780900
 H                  1.46613300   -2.92733300    3.74223900
 C                  4.71297800   -4.20866900    3.80040300
 H                  5.26447500   -3.28661600    4.02272300
 H                  4.60223800   -4.76497600    4.74005500
 H                  5.32439400   -4.81296400    3.11817700
 C                  3.46328600   -4.30382100   -2.76049400
 H                  4.10550900   -3.48830200   -3.11725000
 H                  4.09871400   -5.03121700   -2.24007500
 H                  3.02647100   -4.79943200   -3.63727900
 C                  1.42906000   -2.79321700   -2.58698400
 H                  1.97982900   -1.92435000   -2.96851600
 H                  0.97041400   -3.29948500   -3.44613600
 H                  0.63365100   -2.43877400   -1.92673200
 C                 -1.62774700   -6.71989000   -2.62292500
 H                 -2.70097000   -6.84335500   -2.81411600
 H                 -1.17938900   -6.27159000   -3.51883600
 H                 -1.19144300   -7.71759300   -2.48721600
 C                 -1.97305100   -4.42190000   -1.59700400
 H                 -1.60387900   -3.97829400   -2.53030700
 H                 -3.06764400   -4.46877800   -1.65243000
 H                 -1.69374000   -3.75812200   -0.77251400
 C                  0.05588600   -8.93087500    3.29054800
 H                  0.76366200   -9.09141200    4.11421300
 H                 -0.73104400   -9.69323300    3.36336200
 H                  0.59090700   -9.08779300    2.34752000
 C                 -1.21987600   -7.30546000    4.74075900
 H                 -1.72627600   -6.33662300    4.79996800
 H                 -1.95515900   -8.08917700    4.96163200
 H                 -0.45785300   -7.34002900    5.52930900

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 -H -N -O
6-311++G**
****
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        
****

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









