! easymecp: with_freq=yes
%nprocshared=20
%mem=48GB
%chk=B-1-O2.chk
#p  freq=projected  guess(read) genecp scrf=(smd,solvent=chloroform) nosymm pop=full cphf=maxinv=12000 gfinput gfprint um06 scf=(maxcyc=400,xqc)

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0 1
  46   -3.62860827    0.09154978    1.98007732
   6   -5.20327388   -1.22516023   -0.31740545
   6   -5.27794171    1.00790422   -0.46002538
   6   -6.06051750   -0.90417276   -1.47814265
   6   -6.10824480    0.48801217   -1.56664910
   6   -6.74573059   -1.71109096   -2.37190999
   6   -6.84296234    1.12436644   -2.55470838
   6   -7.48534404   -1.07733388   -3.37400152
   1   -6.70782921   -2.79693054   -2.29450969
   6   -7.53307359    0.31770645   -3.46373183
   1   -6.88042529    2.21124452   -2.62080429
   1   -8.03717026   -1.67781144   -4.09630544
   1   -8.11928210    0.78191763   -4.25547038
   7   -3.61988752   -2.07227978    2.05310610
   6   -4.23348926   -2.86713742    1.13608111
   6   -2.94124038   -2.63138892    3.07415227
   6   -4.13984537   -4.26876788    1.27049431
   6   -2.82191606   -3.99714755    3.24576668
   1   -2.47181199   -1.92935577    3.76333464
   6   -3.43936733   -4.83505819    2.31440845
   1   -4.64662475   -4.87421837    0.52226845
   1   -2.25627825   -4.38989908    4.08716092
   1   -3.37489449   -5.91764201    2.40770546
   7   -3.77135306    2.24361445    1.78511507
   6   -3.13984586    2.96856605    2.72927125
   6   -4.41788482    2.87656678    0.76933352
   6   -3.09706307    4.34955879    2.72079631
   1   -2.64103569    2.39019787    3.50660855
   6   -4.40022411    4.28675140    0.71841592
   6   -3.74412501    5.02249721    1.68225596
   1   -2.56594029    4.87962268    3.50783609
   1   -4.92878602    4.76032853   -0.10578842
   1   -3.73713753    6.10981805    1.63055059
   6   -5.17825827    0.10785059    3.31906620
   1   -4.69263162    0.19948297    4.29781144
   1   -5.80473851    0.97102457    3.07555483
   1   -5.71188091   -0.84004066    3.19904424
   7   -5.13061866    2.27864143   -0.24201573
   7   -4.97584978   -2.44617631    0.05838697
   7   -4.76070437   -0.05371815    0.22301550
   8   -1.19280706    0.18046156    2.41939885
   8   -2.09407884    0.22661847    3.37396866

-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  







