%nproc=8  
%Mem=12000MB
%Chk=bh_TS_1_Cl
#p SCRF(SMD,Solvent=acetone) M06/genecp nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

-1 1
 C                  1.19382600    2.73986100   -1.59151200
 H                  1.82153500    2.77090400   -2.48272000
 H                  1.64708900    3.14356200   -0.68200000
 C                 -0.20641300    2.69722800   -1.72223900
 H                 -0.66021200    2.60036800   -2.70999000
 C                 -1.04958400    2.66187600   -0.58986100
 H                 -2.04896700    2.25276100   -0.66796300
 H                 -0.65056000    2.78261400    0.41245100
 O                 -1.96244200    4.52453200   -0.39359400
 C                 -2.74017500    4.51240500    0.61820100
 C                 -3.54366100    5.79508700    0.81723700
 H                 -3.04147600    6.66544600    0.37923600
 H                 -4.51958000    5.68790000    0.32288600
 H                 -3.73331100    5.97159100    1.88287500
 O                 -2.92104200    3.57331000    1.41292000
 Pd                 0.52931400    0.79503300   -0.95771700
 P                 -0.84714800   -0.99277000   -0.15817500
 C                 -2.66480000   -0.71355000   -0.09252300
 C                 -3.13426800    0.39136400    0.63106300
 C                 -3.58831100   -1.52242300   -0.76148900
 C                 -4.49199700    0.68443200    0.67770000
 H                 -2.44452900    1.05653500    1.15372700
 C                 -4.95046500   -1.22930000   -0.71064500
 H                 -3.25033400   -2.38930800   -1.32932600
 C                 -5.40540200   -0.12715500    0.00650500
 H                 -4.81898200    1.56606300    1.22704100
 H                 -5.65736500   -1.86848300   -1.23816000
 H                 -6.46924800    0.10436600    0.03633500
 C                 -0.70841400   -2.51001400   -1.18007500
 C                 -0.84136200   -3.80252300   -0.66471500
 C                 -0.50557700   -2.34111400   -2.55412200
 C                 -0.77571600   -4.90587600   -1.51154600
 H                 -1.00282800   -3.95133800    0.40348300
 C                 -0.44807400   -3.44344600   -3.40109400
 H                 -0.39057600   -1.33328100   -2.95897000
 C                 -0.58160600   -4.72787100   -2.87931000
 H                 -0.87850700   -5.90895300   -1.09984400
 H                 -0.29210200   -3.29943300   -4.46919100
 H                 -0.53144200   -5.59272800   -3.53915300
 C                 -0.47478700   -1.57709100    1.54419700
 C                 -1.45581700   -2.05671300    2.41891900
 C                  0.86103900   -1.55395700    1.96292900
 C                 -1.10593900   -2.50159500    3.69073900
 H                 -2.50061900   -2.08545900    2.10850800
 C                  1.20814500   -2.00493600    3.23286900
 H                  1.62825400   -1.18143100    1.27937100
 C                  0.22516000   -2.47517200    4.10007300
 H                 -1.87745700   -2.87028500    4.36544900
 H                  2.25054200   -1.98276600    3.54780700
 H                  0.49591200   -2.81968400    5.09714800
 Cl                 2.74920100   -0.38226900   -0.95916500

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 Cl 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        


