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

opt freq

0 1
6        5.390245000     -4.059829000      0.130542000
1        5.217747000     -5.084834000      0.448797000
6        6.548840000     -3.670644000     -0.491468000
1        7.335529000     -4.399917000     -0.679589000
6        4.362093000     -3.102397000      0.370952000
6        6.729496000     -2.338470000     -0.897279000
1        7.641346000     -2.038630000     -1.405045000
6        5.711190000     -1.440045000     -0.638818000
6        5.761429000     -0.016160000     -1.031648000
6        6.870997000      0.565595000     -1.643498000
1        7.757571000     -0.028649000     -1.846728000
6        6.841460000      1.908233000     -1.988658000
1        7.705022000      2.367547000     -2.465187000
6        5.701234000      2.653937000     -1.717517000
1        5.634310000      3.708861000     -1.969482000
6        4.631171000      2.019107000     -1.106193000
1        3.712705000      2.554522000     -0.868339000
6        1.817808000      1.220706000      0.340952000
6        1.053096000      1.523048000     -0.798444000
6        0.290998000      2.682334000     -0.864029000
6        0.260429000      3.558972000      0.224262000
6        0.987382000      3.262824000      1.373984000
6        1.755187000      2.101224000      1.427514000
7        4.574688000     -1.818310000     -0.010338000
7        4.655746000      0.724503000     -0.772918000
8        3.259916000     -3.424146000      0.926882000
46       3.103104000     -0.314642000      0.264831000
6       -0.569885000      4.789919000      0.116816000
9       -0.256832000      5.520112000     -0.964247000
9       -1.886998000      4.493535000     -0.020661000
9       -0.469068000      5.587854000      1.181936000
1        2.318496000      1.886107000      2.336385000
1        0.960373000      3.941594000      2.224943000
1       -0.278239000      2.918416000     -1.765526000
1        1.060952000      0.846595000     -1.654948000
6       -2.129161000     -1.151163000      1.095973000
8       -2.125126000     -0.998081000     -0.176089000
6       -0.769172000     -1.191716000      1.755946000
6        0.348967000     -1.388581000      0.945767000
6       -0.547473000     -0.971970000      3.120577000
6        1.663691000     -1.381308000      1.446936000
6        0.738079000     -0.971977000      3.660316000
6        1.833760000     -1.173935000      2.832455000
1        0.164462000     -1.523688000     -0.120181000
1       -1.396574000     -0.780436000      3.776541000
1        2.478079000     -2.360619000      1.057484000
1        0.874457000     -0.808416000      4.729254000
1        2.841612000     -1.190038000      3.253351000
8       -6.666751000     -1.612964000     -0.120963000
8       -6.432691000      0.590239000      0.232543000
6       -6.155786000     -0.359205000     -0.520181000
8       -5.467709000     -0.404052000     -1.556019000
55      -4.064336000     -3.096072000     -1.064735000
55      -3.554513000      1.672073000     -0.158828000
6       -3.252565000     -1.260286000      1.889450000
1       -3.204625000     -1.434026000      2.962193000
1       -7.154176000     -1.416516000      0.693612000
1       -4.254282000     -1.178538000      1.456667000

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





















































