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

opt freq

 0 1
6        1.799345000     -1.646801000     -0.046929000
8        1.170374000     -1.871006000      1.042772000
6        2.782541000     -0.499246000     -0.025149000
6        3.246041000     -0.051232000      1.215614000
6        3.208169000      0.185428000     -1.170043000
6        4.105228000      1.037963000      1.314828000
6        4.058094000      1.282564000     -1.076146000
6        4.511117000      1.715633000      0.168186000
1        2.899629000     -0.580592000      2.102013000
1        2.843768000     -0.127100000     -2.148697000
1        4.457137000      1.364377000      2.293702000
1        4.363705000      1.808414000     -1.980900000
1        5.174344000      2.576821000      0.242409000
55      -1.558082000     -1.760134000     -0.091576000
6        1.629529000     -2.332780000     -1.235612000
1(Iso=2)        2.289532000     -2.184418000     -2.088327000
1(Iso=2)        1.066389000     -3.270362000     -1.227064000
6       -2.880876000      2.025415000      0.120682000
6       -2.185517000      1.668444000      1.279898000
6       -2.184379000      2.071238000     -1.090355000
1       -2.723214000      1.612911000      2.230077000
1       -2.720584000      2.332798000     -2.006008000
6       -0.815026000      1.395747000      1.251701000
6       -0.813568000      1.807367000     -1.149273000
6       -0.143267000      1.482429000      0.030787000
1        0.926461000      1.260928000     -0.003342000
6       -4.338331000      2.377481000      0.178473000
1       -4.854753000      2.135297000     -0.759681000
1       -4.852870000      1.856077000      0.996333000
1       -4.477653000      3.454654000      0.350152000
6       -0.069617000      0.938049000      2.468598000
1       -0.727015000      0.848936000      3.343454000
1        0.407155000     -0.037650000      2.267628000
1        0.741156000      1.634338000      2.725760000
6       -0.063192000      1.816982000     -2.447818000
1        0.783827000      2.516020000     -2.414612000
1        0.361340000      0.823694000     -2.661748000
1       -0.704558000      2.102166000     -3.291292000

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

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





















































