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

opt freq

 0 1
8       -0.949417000      0.742919000     -4.709883000
8       -2.327426000     -1.026655000     -4.658865000
6       -2.010680000      0.274642000     -4.250581000
8       -2.820008000      0.763713000     -3.440168000
55      -2.823561000     -1.508551000     -1.395122000
1       -1.596601000     -1.276974000     -5.245188000
6       -3.955375000     -4.189477000      1.018033000
6       -2.999226000     -3.735586000      1.927537000
6       -5.022819000     -3.346853000      0.696358000
1       -2.161769000     -4.388146000      2.184508000
1       -5.781519000     -3.689581000     -0.012089000
6       -3.082519000     -2.468380000      2.508048000
6       -5.138549000     -2.074772000      1.262715000
6       -4.160245000     -1.650825000      2.164084000
1       -4.230670000     -0.653409000      2.604317000
6       -3.813579000     -5.547791000      0.397340000
1       -4.527773000     -5.699565000     -0.421947000
1       -2.799447000     -5.697091000     -0.001853000
1       -3.983453000     -6.346232000      1.133582000
6       -2.012585000     -1.982767000      3.439847000
1       -1.584134000     -2.805963000      4.027229000
1       -1.184146000     -1.513133000      2.883676000
1       -2.395323000     -1.226647000      4.137538000
6       -6.253573000     -1.148416000      0.875601000
1       -6.810914000     -0.797947000      1.755065000
1       -5.868721000     -0.248197000      0.371203000
1       -6.968897000     -1.630306000      0.197392000

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





















































