%nproc=24  
%Mem=24000MB
%Chk=bh_c4_OAc
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 1
 P                 -2.77775300    0.77324100   -0.22016100
 Pd                -2.59092000    1.71843300   -2.39195200
 C                 -2.02557500    1.65978800    1.20568800
 C                 -1.48386300    2.93182200    1.00127000
 C                 -1.94254300    1.07949500    2.47875400
 C                 -0.88390200    3.61756800    2.05691300
 H                 -1.51429500    3.38618100    0.00862000
 C                 -1.34575900    1.76591800    3.53013000
 H                 -2.34602100    0.07940700    2.64735600
 C                 -0.81608500    3.03894900    3.31995300
 H                 -0.46118100    4.60704000    1.88570800
 H                 -1.28606000    1.30439300    4.51497400
 H                 -0.34199500    3.57340600    4.14216900
 C                 -2.04855600   -0.90289600    0.01914500
 C                 -2.76707600   -2.04277900    0.38513200
 C                 -0.67599500   -1.02131500   -0.23787800
 C                 -2.12575200   -3.27781400    0.48806000
 H                 -3.83522800   -1.97466400    0.59301800
 C                 -0.03510600   -2.24862300   -0.12433500
 H                 -0.10572300   -0.13905200   -0.53880200
 C                 -0.76143400   -3.38337900    0.23671800
 H                 -2.69933400   -4.15939900    0.77222900
 H                  1.03289000   -2.32287300   -0.32595000
 H                 -0.26344900   -4.34853300    0.31919800
 C                 -4.54040000    0.55431000    0.25137100
 C                 -5.10904200    1.03667100    1.43280000
 C                 -5.37116600   -0.07568000   -0.68709600
 C                 -6.47247100    0.87950200    1.67729200
 H                 -4.49069000    1.54686000    2.17027200
 C                 -6.72711700   -0.24730000   -0.43557900
 H                 -4.94613200   -0.43428200   -1.62707400
 C                 -7.28244000    0.23329300    0.74945300
 H                 -6.90043900    1.26667200    2.60118800
 H                 -7.35518500   -0.74697800   -1.17178200
 H                 -8.34695500    0.11022500    0.94374700
 C                 -1.21366700   -3.12603500   -3.52153900
 C                 -1.79158200   -1.86637900   -3.41811900
 C                 -1.16983000   -0.74311600   -3.98526200
 C                  0.05652900   -0.91969600   -4.64603600
 C                  0.64077400   -2.17843800   -4.73178000
 C                  0.00846800   -3.28726700   -4.17178800
 H                 -1.71722200   -3.98705200   -3.08334600
 H                 -2.73812200   -1.73696900   -2.89171400
 H                  0.54767100   -0.05239000   -5.08749300
 H                  1.59624900   -2.29531400   -5.24218800
 H                  0.46655600   -4.27281700   -4.24259300
 C                 -1.76419100    0.57398000   -3.88549200
 C                 -2.09003200    1.70054500   -4.40272700
 H                 -2.14504500    2.27955400   -5.31865600
 O                 -3.73058600    3.52308600   -1.61485600
 C                 -3.06520900    4.59989500   -1.47741100
 O                 -1.87298800    4.78548100   -1.77906500
 C                 -3.82889100    5.73606600   -0.80525100
 H                 -3.35504100    6.70606400   -0.99507300
 H                 -4.87726900    5.76597100   -1.12530100
 H                 -3.82713600    5.56568400    0.28177700

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        


