%nproc=8  
%Mem=12000MB
%Chk=bh_c6
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
P                 -2.83686500    0.90695100   -1.11169300
 C                 -2.03713500    2.34790900   -0.34609100
 C                 -2.30271600    3.61305200   -0.88275900
 C                 -1.20458000    2.22451300    0.76749000
 C                 -1.74545000    4.74533500   -0.30223400
 H                 -2.94777500    3.70732200   -1.75801100
 C                 -0.64334600    3.36325500    1.34203900
 H                 -0.99159200    1.24428000    1.19284200
 C                 -0.91324200    4.62041100    0.81055200
 H                 -1.95510300    5.72780100   -0.72161800
 H                  0.00789700    3.26382000    2.20861000
 H                 -0.47322800    5.50810700    1.26211300
 C                 -2.09095400   -0.58613000   -0.38026900
 C                 -2.58647600   -1.09634100    0.82610600
 C                 -1.00403800   -1.20929000   -1.00170500
 C                 -1.99624400   -2.21619700    1.40189500
 H                 -3.42980200   -0.61525800    1.32183100
 C                 -0.41922700   -2.32947600   -0.42058900
 H                 -0.61538100   -0.81161700   -1.93900100
 C                 -0.91522500   -2.83427900    0.77829000
 H                 -2.38524100   -2.60812700    2.34010800
 H                  0.42421100   -2.81238000   -0.91105700
 H                 -0.45899600   -3.71465700    1.22823000
 C                 -4.55391300    0.92346600   -0.50346700
 C                 -4.96118900    1.76676000    0.53473200
 C                 -5.46555700    0.02237600   -1.06651100
 C                 -6.26971000    1.70401000    1.00576300
 H                 -4.25813300    2.46807300    0.98338300
 C                 -6.76902600   -0.03761900   -0.58874300
 H                 -5.15320500   -0.62534200   -1.88679100
 C                 -7.17199400    0.80395100    0.44699300
 H                 -6.58206800    2.36057200    1.81602600
 H                 -7.47442100   -0.74079500   -1.02814300
 H                 -8.19467700    0.75800900    0.81761700
 C                 -0.84943700    1.36751200   -3.18029800
 C                  0.32426500    1.69993300   -3.02785100
 C                  1.67764100    2.11101400   -2.83054300
 C                  1.97260000    3.15444900   -1.93620000
 C                  2.73571400    1.48303000   -3.50824800
 C                  3.28626000    3.55432100   -1.72767100
 H                  1.15298100    3.64636000   -1.41158800
 C                  4.04753300    1.88811000   -3.29469500
 H                  2.51452500    0.67368300   -4.20305000
 C                  4.32833500    2.92303100   -2.40477500
 H                  3.49887200    4.36429200   -1.03125300
 H                  4.85795100    1.39102600   -3.82613100
 H                  5.35766200    3.23753700   -2.23933400
 Pd                -2.76853100    0.90767000   -3.36404700
 O                 -4.63188100    0.51481000   -4.06564000
 O                 -3.90290500    0.60852700   -5.29173700
 H                 -4.12150900    1.50902800   -5.61049400

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        
****
C P H O 0 
6-311++G**
****

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        


