%nproc=8  
%Mem=12000MB
%Chk=bh_TS_c1_4
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 C                  2.26088700    4.05338200   -0.23000000
 H                  3.12327600    4.08463400    0.43855800
 H                  2.32618800    4.63216000   -1.15044600
 C                  1.17118800    3.33086300    0.07642000
 H                  0.33061800    3.32666900   -0.62670900
 Pd                 1.64867300    0.63019200    0.65547500
 C                  1.01797900    2.51092100    1.28103200
 H                  1.74743900    2.74719100    2.06580900
 H                 -0.00197700    2.48079100    1.67915500
 P                 -0.49370600   -0.00878500    0.13388100
 C                 -1.86886800    1.08786100    0.64916700
 C                 -2.46099800    0.94842600    1.90817400
 C                 -2.24069800    2.16490000   -0.16438300
 C                 -3.41321500    1.86610000    2.34215900
 H                 -2.18186300    0.11897100    2.55793800
 C                 -3.19133100    3.08122200    0.27345200
 H                 -1.79068000    2.28783700   -1.15002300
 C                 -3.77848300    2.93454200    1.52761800
 H                 -3.87226900    1.74250000    3.32189300
 H                 -3.47391800    3.91360900   -0.36910000
 H                 -4.52144400    3.65265900    1.87084200
 C                 -0.88304600   -1.61144800    0.93313400
 C                 -1.66395300   -2.60443800    0.33578700
 C                 -0.36534600   -1.83003900    2.21583100
 C                 -1.92961900   -3.79117500    1.01489800
 H                 -2.05627700   -2.47254100   -0.67129400
 C                 -0.63970300   -3.01187200    2.89593900
 H                  0.26603400   -1.06874900    2.67893300
 C                 -1.42116000   -3.99578600    2.29401000
 H                 -2.52984400   -4.56180800    0.53304400
 H                 -0.23214700   -3.16780900    3.89353100
 H                 -1.62633100   -4.92697000    2.82027400
 C                 -0.75039900   -0.19048500   -1.66509700
 C                 -2.01520100   -0.47121200   -2.20056600
 C                  0.33268700   -0.00685200   -2.53035300
 C                 -2.17954300   -0.60599600   -3.57440200
 H                 -2.87977500   -0.57421300   -1.54448300
 C                  0.16233000   -0.12900600   -3.90749600
 H                  1.31456400    0.22630500   -2.11650500
 C                 -1.09070900   -0.43829300   -4.42823000
 H                 -3.16377700   -0.83193700   -3.98115600
 H                  1.01081100    0.02038900   -4.57286700
 H                 -1.22388000   -0.53764400   -5.50432300
 C                  1.97863500   -2.40319600   -0.44763200
 C                  2.45895600   -1.31169600   -0.13258600
 C                  1.36571400   -3.63767900   -0.80202800
 C                  0.67368700   -3.76169300   -2.02018900
 C                  1.40979100   -4.73083000    0.07910100
 C                  0.03687400   -4.95267600   -2.34090200
 H                  0.63496600   -2.90788800   -2.69815900
 C                  0.77617700   -5.92084400   -0.25325500
 H                  1.93911200   -4.62859000    1.02577300
 C                  0.08884800   -6.03341300   -1.46089700
 H                 -0.50056900   -5.04179300   -3.28360000
 H                  0.81264300   -6.76387300    0.43486600
 H                 -0.41089100   -6.96640700   -1.71688200
 O                  3.59902000    1.29275300    1.35160500
 C                  4.67100700    0.84628800    0.86374600
 C                  5.96512500    1.45877700    1.32144200
 H                  5.80053800    2.44047200    1.77553400
 H                  6.42288000    0.79852800    2.07010900
 H                  6.66666400    1.54110200    0.48433600
 O                  4.75281500   -0.10415800    0.02585600
 H                  3.57961000   -0.67358100   -0.08614000

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        


