%nprocshared=24
%mem=96GB
%chk=B-os-O2-bis.chk
#p opt freq=noraman guess(read,mix) scrf=(solvent=chloroform,smd) nosymm cphf=maxinv=12000 m06/genecp gfinput gfprint pop=full scf=(maxcyc=400,xqc)

Title Card Required

0 1
 Pd                -3.61333400   -0.30258600    1.71013300
 C                 -5.34684700   -1.41190800   -0.44896200
 C                 -5.23601800    0.82985900   -0.53037900
 C                 -6.23711700   -0.98107300   -1.53849700
 C                 -6.15468700    0.41042200   -1.60092300
 C                 -7.04445600   -1.69920000   -2.40592100
 C                 -6.87678000    1.13732900   -2.53375700
 C                 -7.77668500   -0.97388900   -3.34917800
 H                 -7.10588000   -2.78509800   -2.35065200
 C                 -7.69273300    0.42096300   -3.41315200
 H                 -6.81012300    2.22342200   -2.57772100
 H                 -8.42441800   -1.50200600   -4.04734100
 H                 -8.27468800    0.95613600   -4.16204900
 N                 -3.52724900   -2.36952700    1.63742500
 C                 -4.30954400   -3.13141200    0.81660800
 C                 -2.63474100   -3.00060300    2.44202100
 C                 -4.22850500   -4.53803400    0.87894700
 C                 -2.50628700   -4.36996700    2.51399600
 H                 -2.00390800   -2.35763300    3.04568800
 C                 -3.33791000   -5.16362600    1.72132200
 H                 -4.88651700   -5.09784800    0.21874200
 H                 -1.76709300   -4.79904600    3.18544100
 H                 -3.27716500   -6.24963700    1.75641900
 N                 -3.60165900    1.77277600    1.71811100
 C                 -2.90814900    2.40016400    2.70139500
 C                 -4.21552500    2.53908300    0.76873300
 C                 -2.77897400    3.76849200    2.79188000
 H                 -2.43757200    1.75063400    3.43334900
 C                 -4.10087900    3.94452700    0.81991100
 C                 -3.38863900    4.56540000    1.82066100
 H                 -2.20774500    4.19570300    3.61204000
 H                 -4.60622700    4.50597500    0.03782500
 H                 -3.30887800    5.65029000    1.85338800
 C                 -6.20651000   -0.03511300    3.22480200
 H                 -5.75197900    0.52015900    4.04108600
 H                 -6.83098400    0.49130100    2.50613400
 H                 -6.30115700   -1.11496800    3.31470500
 N                 -4.98636200    2.07083700   -0.26088600
 N                 -5.18320800   -2.65335500   -0.12240900
 N                 -4.76630700   -0.29560500    0.09203000
 O                 -3.14715500   -0.66501700    4.47700000
 O                 -2.48420000   -0.30005000    3.41025300

 -C -H -N -O
6-31+g(d)
******
Pd     0 
S   1   1.00
      2.7870000              1.0000000        
S   1   1.00
      1.9650000              1.0000000        
S   1   1.00
      0.6243000              1.0000000        
S   1   1.00
      0.1496000              1.0000000        
S   1   1.00
      0.0436000              1.0000000        
P   1   1.00
      5.9990000              1.0000000        
P   1   1.00
      1.4430000              1.0000000        
P   1   1.00
      0.5264000              1.0000000        
P   1   1.00
      0.0899000              1.0000000        
P   1   1.00
      0.0262000              1.0000000        
D   2   1.00
      6.0910000              0.0376146        
      1.7190000              0.5200479        
D   1   1.00
      0.6056000              1.0000000        
D   1   1.00
      0.1883000              1.0000000        
F   1   1.00
      1.4720000              1.0000000  
****

PD     0
PD-ECP     3     28
f-ul potential
  5
0    598.3336444             -0.0563177        
1    162.4298290            -20.1288036        
2     51.5714771           -105.8197923        
2     16.4888260            -42.5733345        
2      5.8287656             -3.6165086        
s-ul potential
  5
0     73.3806304              3.0003651        
1     14.7550438             32.4350093        
2     17.8350204            459.0830383        
2     12.7111477           -868.0629029        
2      9.3292063            514.4726098        
p-ul potential
  5
0     55.6689877              4.9593099        
1     64.2337771             21.1711029        
2     17.6254952            605.0560092        
2     11.9058155           -726.9641846        
2      8.5100832            396.3274883        
d-ul potential
  5
0     49.9994728              3.0508745        
1     39.7477547             22.2506580        
2     11.4321366            674.8357698        
2      9.1790080          -1040.8554048        
2      7.5624429            505.9375147  




