! easymecp: with_freq=yes
%nprocshared=12
%mem=24GB
%chk=B-3-O2.chk
#p  freq=projected  guess(read) genecp iop(1/8=1) scrf=(smd,solvent=chloroform) nosymm
pop=full cphf=maxinv=12000 gfinput gfprint um06
scf=(maxcyc=400,xqc)

MECP

0 3
  46   -3.88072428    0.07874830    2.04632583
   6   -5.18403266   -1.22602929   -0.36020807
   6   -5.24694673    1.00759375   -0.50015843
   6   -6.03782047   -0.89901517   -1.51694017
   6   -6.07977433    0.49299872   -1.60296863
   6   -6.75765161   -1.70098100   -2.38809192
   6   -6.84471998    1.13544205   -2.56363406
   6   -7.53027771   -1.06167979   -3.36058212
   1   -6.72503516   -2.78635168   -2.30707254
   6   -7.57390505    0.33423051   -3.44614347
   1   -6.88079218    2.22220602   -2.61984197
   1   -8.11758098   -1.65881943   -4.05679066
   1   -8.19540329    0.80357688   -4.20747826
   7   -3.81845218   -2.00909445    2.14004417
   6   -4.29867464   -2.82890778    1.16450812
   6   -3.16148240   -2.54345241    3.19229054
   6   -4.11096249   -4.22176597    1.28273857
   6   -2.94629608   -3.89782395    3.34093391
   1   -2.77781088   -1.82734365    3.91583212
   6   -3.43659811   -4.75925476    2.35814727
   1   -4.51837884   -4.84422945    0.48945149
   1   -2.40033445   -4.26021570    4.20837183
   1   -3.29100010   -5.83495667    2.43573757
   7   -3.92432042    2.16378286    1.87356704
   6   -3.30312846    2.85846613    2.85100443
   6   -4.45348883    2.83118803    0.81125195
   6   -3.17605317    4.23207009    2.84004601
   1   -2.87269753    2.25805376    3.64834561
   6   -4.35225061    4.23744269    0.76309132
   6   -3.71834125    4.93900227    1.76589706
   1   -2.65754670    4.72817744    3.65665922
   1   -4.79701369    4.73418677   -0.09617404
   1   -3.64323304    6.02355791    1.71650012
   6   -4.84199293    0.18147762    3.89181074
   1   -4.09288209    0.41068543    4.65722798
   1   -5.59047661    0.97284133    3.78306831
   1   -5.30733115   -0.79746975    4.04439414
   7   -5.13097276    2.27190436   -0.24364471
   7   -5.00008858   -2.44016942    0.05049670
   7   -4.70551976   -0.05778000    0.16304264
   8   -1.31042185    0.14386721    2.28041177
   8   -2.17352869    0.19917017    3.26208827

-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  






