%nproc=4  
%Mem=7000MB
%Chk=bh_TS-5
#p SCRF(SMD,Solvent=acetone) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 1
 C                  0.42588700    2.89968800   -2.35317200
 H                  1.19393000    3.07408200   -3.10603700
 H                  0.30033200    3.72361600   -1.64830000
 C                 -0.71630000    2.11240400   -2.71009700
 H                 -0.72160900    1.58632600   -3.66439300
 C                 -1.85125300    1.99221500   -1.88187700
 H                 -2.54087200    1.17342900   -2.04128200
 H                 -1.89965200    2.47269500   -0.91335800
 O                 -3.30858300    3.27919800   -2.57187100
 C                 -3.89516300    3.92534300   -1.62664400
 C                 -4.94454600    4.93257700   -2.12761800
 H                 -4.44231300    5.76187700   -2.64225200
 H                 -5.61661200    4.46182500   -2.85434300
 H                 -5.52850600    5.33575800   -1.29474400
 O                 -3.68490800    3.82334700   -0.40379500
 Pd                 0.53142700    1.09899100   -1.21211600
 P                 -0.40704100   -0.82612300   -0.19252100
 C                 -1.79187100   -0.29632300    0.90152300
 C                 -1.56555900    0.81631800    1.73313900
 C                 -3.05948700   -0.89544200    0.89655700
 C                 -2.58404300    1.31173900    2.54673900
 H                 -0.59087700    1.29837600    1.73549000
 C                 -4.08130800   -0.39029000    1.70631700
 H                 -3.25862100   -1.75175500    0.25988200
 C                 -3.84728100    0.71106300    2.53206700
 H                 -2.39490500    2.17253300    3.18261900
 H                 -5.06140200   -0.86004400    1.68835100
 H                 -4.64490800    1.10385500    3.15708700
 C                 -1.14276900   -2.10901200   -1.29124100
 C                 -1.38358000   -3.42236800   -0.85267800
 C                 -1.48133400   -1.75577900   -2.60653500
 C                 -1.95905300   -4.35895700   -1.71295000
 H                 -1.12141600   -3.71278500    0.16074100
 C                 -2.05978300   -2.69378200   -3.46529500
 H                 -1.28614700   -0.74696000   -2.95879500
 C                 -2.29891800   -3.99613900   -3.02038200
 H                 -2.14086000   -5.37202200   -1.36348500
 H                 -2.31661500   -2.40765600   -4.48188000
 H                 -2.74394100   -4.72778200   -3.68965500
 C                  0.68652800   -1.82611000    0.90442500
 C                  0.45488300   -2.00862200    2.27448400
 C                  1.83578200   -2.39345500    0.32591000
 C                  1.35347400   -2.74857200    3.05120300
 H                 -0.42452700   -1.57774100    2.74266200
 C                  2.72555800   -3.13736200    1.09946600
 H                  2.03827600   -2.24485100   -0.73179200
 C                  2.48731500   -3.31607200    2.46682400
 H                  1.16099400   -2.88181100    4.11274000
 H                  3.61102300   -3.56733000    0.63888900
 H                  3.18618200   -3.88769400    3.07181900
 C                  2.36003100    1.05443200   -0.32976300
 C                  3.42195800    0.87289600    0.27412200
 C                  4.59709100    0.57680500    1.03159100
 C                  5.87881600    0.99426000    0.60958600
 C                  4.49959400   -0.16168900    2.23383300
 C                  7.01352900    0.68177200    1.35811300
 H                  5.97278600    1.56332300   -0.31151600
 C                  5.63769400   -0.46858200    2.97761100
 H                  3.52148200   -0.49387400    2.56889800
 C                  6.90085200   -0.04960700    2.54526500
 H                  7.99064500    1.01211400    1.01387900
 H                  5.53773400   -1.03984300    3.89749600
 H                  7.78721500   -0.29033300    3.12641000

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        


