%nprocshared=12
%mem=24GB
%chk=B-3-O2-s17-retro-s14-ts.chk
#p opt(ts,calcfc,noeigentest) freq=noraman scrf=(solvent=chloroform,smd) iop(1/8=1) nosymm cphf=maxinv=12000 m06/genecp gfinput gfprint pop=full scf=(maxcyc=400,xqc)

Title Card Required

0 3
 Pd                -3.80369100   -0.29940900    1.86451600
 C                 -5.38717600   -1.39368700   -0.44466900
 C                 -5.32905200    0.85904500   -0.45157200
 C                 -6.16869500   -0.94679300   -1.61284400
 C                 -6.13151200    0.44565800   -1.61748100
 C                 -6.83571400   -1.65726900   -2.59869000
 C                 -6.75964400    1.18477700   -2.60756700
 C                 -7.47607200   -0.92096200   -3.59801100
 H                 -6.85680800   -2.74609700   -2.59362500
 C                 -7.43824600    0.47780800   -3.60278900
 H                 -6.72233000    2.27319700   -2.60850000
 H                 -8.01112300   -1.44242500   -4.39048000
 H                 -7.94565700    1.02171700   -4.39833800
 N                 -3.78844600   -2.49552000    1.76185200
 C                 -4.47559200   -3.19993700    0.83162900
 C                 -3.14430800   -3.15810500    2.74122500
 C                 -4.47566300   -4.60932000    0.87416500
 C                 -3.12265500   -4.53653400    2.84051400
 H                 -2.62942300   -2.54480500    3.47674400
 C                 -3.80151900   -5.27992100    1.87385500
 H                 -5.02655500   -5.13474000    0.09740800
 H                 -2.58460000   -5.01078600    3.65755500
 H                 -3.80600400   -6.36798000    1.90792300
 N                 -3.67575100    1.89459500    1.74808900
 C                 -2.99336500    2.53049200    2.71918000
 C                 -4.32054000    2.62606000    0.80844700
 C                 -2.89061300    3.90658100    2.80066600
 H                 -2.51327700    1.89805300    3.46229200
 C                 -4.23784100    4.03345600    0.83290300
 C                 -3.52508400    4.67596200    1.82433300
 H                 -2.32511000    4.35896100    3.61154500
 H                 -4.75829600    4.58023300    0.04987700
 H                 -3.46550800    5.76274000    1.84440400
 C                 -5.54191200   -0.23451900    3.33410700
 H                 -6.14688500    0.62712600    3.04242100
 H                 -6.04693600   -1.19612800    3.21428100
 H                 -5.01822000   -0.11505000    4.28679500
 N                 -5.08148700    2.10662500   -0.21133800
 N                 -5.20530400   -2.65051500   -0.19508800
 N                 -4.93945300   -0.27605600    0.21729200
 O                 -1.33774800   -0.36506800    2.97750900
 O                 -2.54098300   -0.32518800    3.43769000

 -C -H -N -O
6-31+g(d)
******
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  
****

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  





