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

opt freq

0 1
6       -4.238153000     -0.855725000      2.072693000
1       -4.921507000     -0.133104000      2.513635000
6       -4.606071000     -2.152933000      1.769722000
1       -5.615302000     -2.502123000      1.982809000
6       -2.918948000     -0.471048000      1.795977000
6       -3.684813000     -3.004593000      1.168263000
1       -3.972865000     -4.015199000      0.896487000
6       -2.391570000     -2.543909000      0.941435000
6       -1.369885000     -3.385035000      0.287963000
6       -1.701152000     -4.565331000     -0.378470000
1       -2.739668000     -4.865827000     -0.483671000
6       -0.697408000     -5.333598000     -0.943394000
1       -0.943639000     -6.251986000     -1.473021000
6        0.620344000     -4.909414000     -0.828725000
1        1.443741000     -5.479404000     -1.251492000
6        0.869924000     -3.715676000     -0.170326000
1        1.882554000     -3.326780000     -0.076982000
6        2.169912000     -0.833890000      0.830661000
6        2.533521000     -0.919802000     -0.528079000
6        3.867845000     -0.904799000     -0.916272000
6        4.876340000     -0.808085000      0.045694000
6        4.538795000     -0.735858000      1.393378000
6        3.198093000     -0.741650000      1.775067000
7       -1.997994000     -1.317932000      1.345866000
7       -0.094186000     -2.968963000      0.372258000
8       -2.593864000      0.806738000      1.971013000
46       0.196735000     -0.950648000      1.172851000
6        6.291213000     -0.786240000     -0.414676000
9        7.169132000     -0.681774000      0.590469000
9        6.615957000     -1.894198000     -1.105827000
9        6.529950000      0.244619000     -1.250365000
1        2.960957000     -0.665111000      2.836844000
1        5.322499000     -0.669207000      2.146561000
1        4.138485000     -0.979812000     -1.972011000
1        1.727495000     -1.015076000     -1.265893000
6        0.310568000      4.482559000      0.804328000
8        0.176109000      4.325967000     -0.404351000
6        0.479104000      3.329121000      1.720124000
6        0.246433000      2.037406000      1.220621000
6        0.895595000      3.486599000      3.046453000
6        0.464810000      0.887319000      1.986763000
6        1.086318000      2.359735000      3.838338000
6        0.891100000      1.083573000      3.311515000
1       -0.191896000      1.916022000      0.227671000
1        1.083766000      4.476498000      3.460761000
1       -1.735139000      0.957841000      1.514400000
1        1.405923000      2.475124000      4.874289000
1        1.074730000      0.219711000      3.954082000
8       -1.537889000      0.768996000     -1.071220000
8       -0.280297000     -0.850291000     -1.994830000
6       -1.417096000     -0.453939000     -1.545015000
8       -2.448031000     -1.223761000     -1.556124000
55       1.030201000      1.809472000     -2.317776000
55      -4.476025000      0.859028000     -1.139333000
6        0.323465000      5.873321000      1.385071000
1        0.097591000      6.595977000      0.595123000
1       -0.406096000      5.976642000      2.198721000
1        1.310805000      6.108746000      1.805608000

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
****
Cs     0
S   3   1.00
      0.8709000             -1.1604798
      0.5393000              1.4198515
      0.1724000              0.5872905
S   4   1.00
      0.8709000              0.8237727
      0.5393000             -1.0709181
      0.1724000             -0.9085122
      0.0393000              1.0774049
S   1   1.00
      0.0151000              1.0000000
P   3   1.00
      1.4680000             -0.1321033
      0.4134000              0.6572410
      0.1536000              0.4756456
P   2   1.00
      0.1458000             -0.1680556
      0.0279000              1.0665746
P   1   1.00
      0.0113000              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
CS     0
CS-ECP     3     46
f-ul potential
  6
0    636.7840130             -0.0805109
1    147.8912446            -33.4311448
2     42.5724911           -193.9270887
2     11.2427883            -56.8301433
2      3.5689707            -18.6504975
2      1.3107462             -2.5411399
s-ul potential
  3
0     40.8648070              3.0499934
1     10.9329329             37.9677514
2      2.2294903             45.2340673
p-ul potential
  4
0    118.8598171              4.6406951
1     30.6847958             62.0313533
2     10.1762999            129.5909481
2      1.8272850             31.5186825
d-ul potential
  4
0     16.0081704              7.3054473
1      2.6488291             33.2785760
2     14.5555672             53.1296948
2      0.6703604             16.2118878





















































