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

opt freq

0 1
6       -3.260051000      3.495910000     -0.376963000
1       -4.322137000      3.371257000     -0.585262000
6       -2.727078000      4.722506000     -0.078341000
1       -3.367182000      5.604876000     -0.044182000
6       -2.427827000      2.324334000     -0.435751000
6       -1.354531000      4.850682000      0.183024000
1       -0.926933000      5.823617000      0.406571000
6       -0.579516000      3.701332000      0.123272000
6        0.883669000      3.739290000      0.392232000
6        1.545655000      4.883093000      0.848574000
1        0.996568000      5.800905000      1.040988000
6        2.913955000      4.840267000      1.070334000
1        3.435427000      5.727165000      1.426334000
6        3.606874000      3.657331000      0.838127000
1        4.679467000      3.581331000      0.998647000
6        2.883179000      2.559201000      0.396746000
1        3.364416000      1.598550000      0.202208000
7       -1.088575000      2.492475000     -0.177894000
7        1.568001000      2.600310000      0.182667000
8       -2.891206000      1.186580000     -0.706132000
46       0.366705000      0.785326000     -0.396419000
6        4.285603000     -1.668843000     -0.264371000
6        3.396857000     -1.742677000      0.806981000
6        2.081344000     -1.328264000      0.659400000
6        1.602770000     -0.794892000     -0.562883000
6        2.521630000     -0.764625000     -1.645030000
6        3.832687000     -1.174018000     -1.493102000
1        3.735899000     -2.128818000      1.766922000
1        1.405665000     -1.409747000      1.511819000
1        2.182441000     -0.399030000     -2.615364000
1        4.523014000     -1.115158000     -2.335859000
6        5.706715000     -2.077291000     -0.143238000
9        6.056507000     -2.996223000     -1.063232000
9        6.001646000     -2.594043000      1.057578000
9        6.549858000     -1.041110000     -0.335773000
6       -0.493934000     -2.475139000     -0.307984000
8       -0.183312000     -3.598606000     -0.692109000
6       -0.129390000     -1.275906000     -1.090412000
1       -1.003032000     -0.577906000     -1.153078000
1        0.138980000     -1.585063000     -2.102898000
6       -1.322138000     -2.338414000      0.941466000
6       -1.863969000     -3.514547000      1.477259000
6       -1.625868000     -1.116040000      1.554447000
6       -2.707748000     -3.472690000      2.579546000
6       -2.465369000     -1.074543000      2.664890000
6       -3.013095000     -2.248719000      3.175848000
1       -1.604730000     -4.457957000      0.999604000
1       -1.213021000     -0.183959000      1.158246000
1       -3.121412000     -4.395668000      2.984027000
1       -2.686160000     -0.116325000      3.133206000
1       -3.666735000     -2.213502000      4.046672000
55      -4.243517000     -1.381173000     -0.841135000

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





















































