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

opt freq

 0 1
8        0.578244000     -0.592591000      0.828281000
8        0.472927000      0.819858000     -0.903165000
6        0.398467000     -0.381055000     -0.477508000
8        0.123185000     -1.370521000     -1.221319000
55       3.041852000      1.350460000      0.690634000
55      -2.561907000      0.099688000     -1.283583000
1       -5.857843000     -1.546006000      1.006402000
6       -5.786052000     -3.723605000     -0.634066000
1       -6.138969000     -4.631750000     -0.124453000
1       -5.487699000     -4.026356000     -1.646956000
1       -6.645495000     -3.046277000     -0.720571000
6       -4.649898000     -3.089859000      0.114041000
6       -3.363222000     -3.636023000      0.040909000
6       -2.295890000     -3.099528000      0.760505000
6       -2.533276000     -1.970493000      1.558000000
6       -3.804544000     -1.408840000      1.658567000
6       -4.855180000     -1.974795000      0.924588000
1       -3.193723000     -4.515146000     -0.585903000
1       -1.688095000     -1.518451000      2.083159000
1        2.148981000     -2.042158000     -0.945802000
6        3.178810000     -0.525641000     -2.898254000
1        2.822748000     -1.321112000     -3.567594000
1        3.809244000      0.152675000     -3.489054000
1        2.279084000      0.016498000     -2.563384000
6        3.916481000     -1.092609000     -1.720712000
6        5.265829000     -0.813365000     -1.485561000
6        5.915608000     -1.286129000     -0.341173000
6        5.178468000     -2.020654000      0.592964000
6        3.829180000     -2.315332000      0.380782000
6        3.216935000     -1.859491000     -0.787541000
1        5.826568000     -0.216119000     -2.209977000
1        5.669930000     -2.371654000      1.504307000
6       -0.917733000     -3.670199000      0.660976000
1       -0.445619000     -3.739003000      1.650502000
1       -0.928482000     -4.672099000      0.211412000
1       -0.297413000     -2.997380000      0.040365000
6       -4.054440000     -0.190399000      2.499135000
1       -4.953450000     -0.307049000      3.119890000
1       -3.210565000      0.022017000      3.167812000
1       -4.218066000      0.706161000      1.878417000
6        2.998896000     -3.047571000      1.392268000
1        2.062034000     -2.495631000      1.568636000
1        2.713601000     -4.045784000      1.029308000
1        3.528020000     -3.178702000      2.345655000
6        7.378832000     -1.027208000     -0.128806000
1        7.632815000     -0.972234000      0.938192000
1        7.991963000     -1.831399000     -0.561153000
1        7.701284000     -0.091095000     -0.603970000
6       -0.215612000      2.678411000      1.374624000
8        0.820282000      3.353438000      1.270283000
6       -1.400380000      3.093937000      0.540505000
6       -1.177110000      3.614379000     -0.737865000
6       -2.711143000      3.032817000      1.020173000
6       -2.239193000      4.038579000     -1.527448000
6       -3.779753000      3.473671000      0.239202000
6       -3.546619000      3.970655000     -1.040779000
1       -0.152345000      3.658191000     -1.099821000
1       -2.895968000      2.665240000      2.030020000
1       -2.050364000      4.433006000     -2.525573000
1       -4.793580000      3.441783000      0.638922000
1       -4.377645000      4.320176000     -1.652733000
6       -0.332773000      1.488503000      2.179898000
1       -1.352944000      1.190783000      2.446900000
1        0.136998000      0.470437000      1.451717000
1        0.322820000      1.499850000      3.060327000

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





















































