%nprocshared=32
%mem=96GB
#p FREQ    genecp SCRFDef=AsymmetricIEFPCM  scrf=(smd,solvent=mesitylene)  m06  scf=xqc temperature=403.15

opt freq

0 1
6       -5.099666000     -1.037103000     -0.174259000
1       -5.676542000     -1.956611000     -0.233309000
6       -5.690840000      0.187885000      0.004652000
1       -6.774187000      0.259175000      0.091439000
6       -3.681193000     -1.128167000     -0.281703000
6       -4.913390000      1.354692000      0.082050000
1       -5.384729000      2.321035000      0.235224000
6       -3.541822000      1.223505000     -0.030589000
6       -2.601105000      2.359142000      0.044816000
6       -3.018608000      3.682794000      0.173265000
1       -4.078687000      3.916945000      0.216803000
6       -2.077643000      4.698583000      0.241417000
1       -2.398326000      5.733545000      0.340851000
6       -0.727728000      4.377006000      0.179654000
1        0.045002000      5.139481000      0.229037000
6       -0.373568000      3.043052000      0.049063000
1        0.669442000      2.734783000     -0.005508000
6        1.143697000      0.206366000     -0.194951000
6        1.783826000      0.304948000      1.049777000
6        3.136361000      0.611837000      1.134971000
6        3.877711000      0.821138000     -0.028613000
6        3.263760000      0.714894000     -1.272334000
6        1.907225000      0.405559000     -1.350372000
7       -2.959656000      0.018150000     -0.213652000
7       -1.278676000      2.060440000     -0.017804000
8       -3.082280000     -2.241607000     -0.444618000
46      -0.847384000     -0.006187000     -0.247358000
6        5.327834000      1.139164000      0.105270000
9        5.910747000      1.411530000     -1.068496000
9        5.532730000      2.201785000      0.903342000
9        6.014975000      0.124954000      0.659025000
1        1.441314000      0.328130000     -2.333728000
1        3.842906000      0.875393000     -2.180093000
1        3.624104000      0.694263000      2.107122000
1        1.213464000      0.149486000      1.967107000
6        1.235437000     -3.722918000      0.092228000
6        1.004055000     -3.226053000     -2.258199000
6       -0.044523000     -2.361145000     -1.961657000
6       -0.446402000     -2.116990000     -0.639565000
1        1.737752000     -4.277766000      0.883597000
1       -0.571123000     -1.856985000     -2.773827000
6        1.651480000     -3.897285000     -1.225403000
6        0.204567000     -2.833067000      0.392028000
1        2.475049000     -4.574705000     -1.445856000
1        1.314524000     -3.383696000     -3.290216000
1       -1.750104000     -2.029495000     -0.501747000
6       -0.255580000     -2.635824000      1.800164000
8       -0.941981000     -1.676349000      2.114823000
6        0.141974000     -3.656735000      2.833149000
1       -0.380654000     -3.439591000      3.769191000
1       -0.092659000     -4.678191000      2.507876000
1        1.224304000     -3.613183000      3.019073000

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 F H O N 0
6-31G*
****

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


















































