%nproc=8  
%Mem=20000MB
%Chk=bh_TS-8-ox-ad
#p SCRF(SMD,Solvent=acetone) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 P                 -2.67181900    0.99222900   -0.07954300
 C                 -2.19395900    1.68482800    1.55819500
 C                 -2.05462400    3.08064700    1.65078300
 C                 -1.96440000    0.89594300    2.69530700
 C                 -1.70456700    3.67718100    2.86273900
 H                 -2.22439700    3.70133900    0.77318000
 C                 -1.60798000    1.49608500    3.90595100
 H                 -2.06311700   -0.18396600    2.64131600
 C                 -1.47879000    2.88474900    3.99244000
 H                 -1.60187400    4.75733700    2.92294200
 H                 -1.43086000    0.87665800    4.78122000
 H                 -1.19986100    3.34791500    4.93511000
 C                 -2.27911500   -0.80018100    0.04174000
 C                 -3.18165000   -1.74497000    0.55422000
 C                 -1.00859800   -1.22328100   -0.38215800
 C                 -2.81490000   -3.08987500    0.64443800
 H                 -4.16936500   -1.43563200    0.88259100
 C                 -0.64240700   -2.56658200   -0.28350400
 H                 -0.30789400   -0.49966700   -0.79259800
 C                 -1.54615400   -3.50238300    0.22816000
 H                 -3.52193000   -3.81440300    1.03977700
 H                  0.34372100   -2.88244300   -0.61328800
 H                 -1.26455800   -4.54974200    0.29759000
 C                 -4.50995600    1.06901000   -0.08128100
 C                 -5.26442900    1.09446600    1.10245300
 C                 -5.17337000    1.08871800   -1.31904200
 C                 -6.65946200    1.13320700    1.04654300
 H                 -4.76699100    1.08481800    2.06772500
 C                 -6.56809800    1.12166700   -1.37125700
 H                 -4.59669400    1.08265400   -2.24069900
 C                 -7.31315500    1.14509800   -0.18874700
 H                 -7.23415200    1.15477800    1.96871400
 H                 -7.07128000    1.13639800   -2.33435700
 H                 -8.39869100    1.17758300   -0.22966700
 Pd                -1.61143000    2.13122500   -1.86716700
 C                 -0.90601000    2.82360900   -3.57047900
 C                 -0.45724700    3.26654600   -4.63021400
 C                  0.08865600    3.81221300   -5.82927500
 C                 -0.52258000    4.91746300   -6.46100400
 C                  1.24893400    3.25420000   -6.40959300
 C                  0.01293100    5.44400700   -7.63476600
 H                 -1.41496800    5.35366600   -6.02134400
 C                  1.77621700    3.78713800   -7.58418100
 H                  1.72617300    2.40416000   -5.93047000
 C                  1.16241600    4.88253800   -8.20084800
 H                 -0.46780000    6.29529600   -8.10953100
 H                  2.66939800    3.34698000   -8.01976000
 H                  1.57729700    5.29605200   -9.11611600
 H                 -1.89225200    1.61294900   -3.32264000

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 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        


