%nprocshared=24
%mem=96GB
%chk=Direct-s17-triplet-sp.chk
#p scrf=(solvent=chloroform,smd) opt(ts,calcfc,noeigentest) freq=noraman nosymm cphf=maxinv=12000 um06/genecp gfinput gfprint pop=full scf=(maxcyc=400,xqc)

Title Card Required

0 3
 Pt                -3.71301060    0.07800610    1.94273410
 C                 -5.26933640   -1.23082560   -0.26779770
 C                 -5.35994010    1.01128000   -0.39050660
 C                 -6.11234750   -0.90065390   -1.42827300
 C                 -6.17512820    0.49191350   -1.49992700
 C                 -6.77348860   -1.70428370   -2.34243930
 C                 -6.90447060    1.13314130   -2.48820000
 C                 -7.51157630   -1.06551990   -3.34233880
 H                 -6.71942970   -2.78999320   -2.28066080
 C                 -7.57728900    0.32975950   -3.41271840
 H                 -6.95251980    2.21970260   -2.54005070
 H                 -8.04585340   -1.66286410   -4.07971600
 H                 -8.16200120    0.79798250   -4.20291210
 N                 -3.64115260   -1.99105200    2.05996340
 C                 -4.23326950   -2.82744430    1.15814720
 C                 -2.98134720   -2.52997110    3.11447590
 C                 -4.09642960   -4.22231550    1.31272980
 C                 -2.83921260   -3.88678580    3.30837630
 H                 -2.55472300   -1.81520120    3.81305570
 C                 -3.40349820   -4.75859300    2.37534380
 H                 -4.56963710   -4.84851730    0.56030360
 H                 -2.29161090   -4.24551430    4.17607240
 H                 -3.30880220   -5.83707940    2.48656800
 N                 -3.75683410    2.14766740    1.79931070
 C                 -3.10944690    2.85067470    2.76067750
 C                 -4.42081950    2.83060060    0.82107010
 C                 -3.05399340    4.22739240    2.78760420
 H                 -2.61603530    2.25500160    3.52430140
 C                 -4.37263540    4.23951050    0.80344550
 C                 -3.69511980    4.94247490    1.77508060
 H                 -2.51298610    4.72305810    3.58939680
 H                 -4.90040300    4.73814570   -0.00586630
 H                 -3.66971770    6.03039260    1.75414650
 C                 -5.15733560    0.16592730    3.68390070
 H                 -4.54942320    0.40513840    4.56434100
 H                 -5.88258250    0.95276820    3.45079320
 H                 -5.63190260   -0.81817090    3.75909370
 N                 -5.16958410    2.27427540   -0.18198680
 N                 -4.98981300   -2.44471970    0.08251080
 N                 -4.87079060   -0.05688640    0.31036260
 O                 -1.08703150    0.19051250    2.69310590
 O                 -2.22341410    0.20639520    3.36003770

 -C -H -N -O
6-31+g(d)
******
Pt     0 
S   1   1.00
      2.5470000              1.0000000        
S   1   1.00
      1.6140000              1.0000000        
S   1   1.00
      0.5167000              1.0000000        
S   1   1.00
      0.2651000              1.0000000        
S   1   1.00
      0.0580000              1.0000000        
P   1   1.00
      2.9110000              1.0000000        
P   1   1.00
      1.8360000              1.0000000        
P   1   1.00
      0.5982000              1.0000000        
P   1   1.00
      0.0996000              1.0000000        
P   1   1.00
      0.0290000              1.0000000        
D   1   1.00
      1.2430000              1.0000000        
D   1   1.00
      0.4271000              1.0000000        
D   1   1.00
      0.1370000              1.0000000        
F   1   1.00
      0.9930000              1.0000000
****

PT     0
PT-ECP     4     60
g-ul potential
  5
1    728.9394056             -0.1619268        
2    320.6567800          -1320.2873852        
2     52.8680174           -298.3178135        
2     12.0280128            -87.5837065        
2      3.5238913             -8.1493274        
s-ul potential
  6
0    409.4437358              2.7334218        
1    274.5419231             59.7024329        
2    127.5658570            891.4589550        
2     32.9036631            368.4467656        
2      5.0593880            238.0263090        
2      4.1506556           -107.0556454        
p-ul potential
  4
0    466.1728892              1.8878568        
1    120.7888259             76.0138629        
2     36.4118791            343.5511116        
2      5.6985408            119.4911786        
d-ul potential
  5
0    249.5650763              2.9343678        
1    126.6678585             59.3306571        
2     63.1430586            452.4445194        
2     17.9059470            210.4769479        
2      4.2239373             58.6254112        
f-ul potential
  5
0    121.8158799              3.9534253        
1     60.8757030             53.8555182        
2     31.4767147            247.4305133        
2      9.8811751            127.8187976        
2      2.7319874             15.3772046




