%nproc=24  
%Mem=24000MB
%Chk=bh_c2
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 1
 C                  0.31515300    2.84417600   -2.15972300
 H                  0.96312600    2.89087400   -3.03813800
 H                  0.36081100    3.73316600   -1.52242800
 C                 -0.86922300    2.06818000   -2.18819400
 H                 -1.10572100    1.51376600   -3.10314400
 C                 -2.05930700    2.45117100   -1.37646500
 H                 -2.68424900    1.58753800   -1.09927000
 H                 -1.76974700    2.96821400   -0.45028200
 O                 -2.88350600    3.35874400   -2.16395500
 C                 -3.95189900    3.88418000   -1.55849600
 C                 -4.71477000    4.77089000   -2.49629800
 H                 -4.05041900    5.51987500   -2.94277100
 H                 -5.12867100    4.17355000   -3.31825600
 H                 -5.53010000    5.26847900   -1.96463200
 O                 -4.25983600    3.66246600   -0.40629900
 Pd                 0.62598000    1.05102900   -1.02744200
 P                 -0.43705100   -0.89277100   -0.11187200
 C                 -1.88874200   -0.34707600    0.87329300
 C                 -1.67711100    0.69590300    1.78631100
 C                 -3.18316500   -0.84463700    0.70451900
 C                 -2.73504700    1.22771200    2.51321600
 H                 -0.67011900    1.09914300    1.91579400
 C                 -4.24638000   -0.30258000    1.42602500
 H                 -3.37247100   -1.65331500   -0.00102300
 C                 -4.02564100    0.73150100    2.32942000
 H                 -2.55565500    2.03734100    3.21919500
 H                 -5.25193200   -0.69513600    1.27956900
 H                 -4.85839900    1.15706100    2.88745600
 C                 -1.15404500   -2.13730500   -1.26201300
 C                 -1.42785800   -3.45871700   -0.88983100
 C                 -1.45294100   -1.72632100   -2.56474800
 C                 -1.98552200   -4.34720900   -1.80406000
 H                 -1.20725800   -3.79762400    0.12329400
 C                 -2.01578300   -2.61339500   -3.47847500
 H                 -1.23051200   -0.69992800   -2.86240900
 C                 -2.27952600   -3.92661300   -3.09984900
 H                 -2.19164400   -5.37390700   -1.50418300
 H                 -2.24072500   -2.27978600   -4.49056000
 H                 -2.71090000   -4.62562600   -3.81499900
 C                  0.47569300   -1.96938600    1.06904800
 C                 -0.00209300   -2.33577100    2.33042100
 C                  1.72846400   -2.44173300    0.65710900
 C                  0.75784600   -3.15702200    3.16143400
 H                 -0.97690200   -1.98362400    2.66926800
 C                  2.48096300   -3.27171500    1.48073100
 H                  2.11768500   -2.15104500   -0.32057000
 C                  1.99760900   -3.62780400    2.73882200
 H                  0.37447500   -3.43464700    4.14259200
 H                  3.45150400   -3.63338800    1.14329700
 H                  2.58978900   -4.26985400    3.38945000
 C                  2.55740500    0.95216900   -0.22256600
 C                  3.67477800    0.82073800    0.29702100
 C                  4.95289300    0.64923500    0.91204800
 C                  6.11966800    1.18477900    0.33431100
 C                  5.08318100   -0.06309900    2.11966600
 C                  7.35947700    1.01182800    0.93750000
 H                  6.03729900    1.74028300   -0.59976300
 C                  6.32490900   -0.23152000    2.71976500
 H                  4.18947500   -0.48137400    2.58320900
 C                  7.47049000    0.30404000    2.13313200
 H                  8.24823100    1.43618000    0.47113600
 H                  6.39926100   -0.78558500    3.65509100
 H                  8.44316900    0.17138800    2.60492000

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        


