%nproc=24  
%Mem=40000MB
%Chk=bh_TS_c6_c7
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
P                 -3.18931300    1.14317300   -1.07065500
 C                 -2.21898200    2.47170800   -0.29232400
 C                 -2.51594300    3.79659600   -0.63313900
 C                 -1.22068400    2.20389600    0.64656800
 C                 -1.82876800    4.84226200   -0.02872200
 H                 -3.28615300    4.00375400   -1.37836300
 C                 -0.52899800    3.25570000    1.24345800
 H                 -0.97290700    1.17727500    0.91351500
 C                 -0.83302200    4.57178000    0.90866400
 H                 -2.06598800    5.87073100   -0.29506500
 H                  0.25083900    3.04262200    1.97251000
 H                 -0.29165100    5.39150100    1.37801300
 C                 -2.29270900   -0.42165200   -0.84375100
 C                 -2.28217400   -1.05218200    0.40813200
 C                 -1.61387400   -1.00302700   -1.91834600
 C                 -1.58682900   -2.24304300    0.58027300
 H                 -2.81812100   -0.61121900    1.24906000
 C                 -0.92332500   -2.19802800   -1.74014900
 H                 -1.62827700   -0.51867400   -2.89460700
 C                 -0.90856700   -2.81660000   -0.49361700
 H                 -1.57954600   -2.72772300    1.55489000
 H                 -0.40057200   -2.64948100   -2.58143600
 H                 -0.37163000   -3.75396700   -0.35761000
 C                 -4.70520600    0.98109500   -0.07156500
 C                 -5.12057500    1.98577800    0.80904200
 C                 -5.51705900   -0.14551200   -0.27071800
 C                 -6.33236100    1.86077300    1.48460200
 H                 -4.50115000    2.86681600    0.97220300
 C                 -6.72337100   -0.26403800    0.40844200
 H                 -5.20546200   -0.92898900   -0.96158200
 C                 -7.13354900    0.74069100    1.28417800
 H                 -6.64891900    2.64486300    2.17002400
 H                 -7.34740400   -1.14142300    0.24920900
 H                 -8.08198700    0.64837300    1.81052300
 C                 -1.90703900    2.03244000   -3.46980000
 C                 -0.73394600    2.36151900   -3.60504700
 C                  0.62713600    2.76972900   -3.74437500
 C                  1.37161900    3.13779700   -2.61114800
 C                  1.24242700    2.81792800   -5.00616100
 C                  2.69419400    3.54232700   -2.73920600
 H                  0.89546900    3.09953900   -1.63060000
 C                  2.56565200    3.22462300   -5.12640400
 H                  0.66893100    2.53098800   -5.88808400
 C                  3.29546900    3.58753000   -3.99595500
 H                  3.26094200    3.82356300   -1.85266700
 H                  3.03100400    3.25916400   -6.11059000
 H                  4.33235300    3.90545500   -4.09387500
 Pd                -3.78848000    1.57274400   -3.24262800
 O                 -5.90299600    1.05438100   -3.12817600
 O                 -6.58233800    2.16285900   -2.52127800
 H                 -6.47705000    1.93416500   -1.57813400
 C                 -4.83874500    1.91495700   -5.21047000
 C                 -3.86865800    2.33044000   -5.85952300
 C                 -2.78861900    2.82361600   -6.65305100
 C                 -2.23207300    2.03111100   -7.66863400
 C                 -2.26393400    4.10382200   -6.41032000
 C                 -1.17962100    2.51795400   -8.43428500
 H                 -2.63783100    1.03697500   -7.85031400
 C                 -1.20797500    4.58014900   -7.17527100
 H                 -2.69114100    4.70990300   -5.61217700
 C                 -0.66680000    3.79077800   -8.18957300
 H                 -0.75592500    1.90051600   -9.22439400
 H                 -0.80298800    5.57180400   -6.98095600
 H                  0.16014900    4.16781800   -8.78928000
 H                 -5.71460500    1.45083600   -4.26891700

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        


