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

opt freq

0 1
8        2.704316000     -2.363248000      0.111224000
8        2.607219000     -0.320925000      1.051252000
6        2.553777000     -1.157774000     -0.112305000
8        2.331134000     -0.516456000     -1.154765000
55       0.603282000      1.701958000     -0.228971000
1(Iso=2)        2.817903000     -0.944620000      1.762604000
6       -2.909129000     -0.236034000     -0.133697000
6       -2.220552000     -0.955676000     -1.114965000
6       -2.374692000     -0.184984000      1.156358000
1       -2.623806000     -0.992086000     -2.130173000
1       -2.898997000      0.379434000      1.932101000
6       -1.037403000     -1.640144000     -0.825665000
6       -1.193765000     -0.861480000      1.476450000
6       -0.539326000     -1.585822000      0.479830000
1        0.399961000     -2.098461000      0.706806000
6       -4.210883000      0.438359000     -0.454003000
1       -4.413488000      1.279605000      0.221840000
1       -4.233274000      0.815361000     -1.485101000
1       -5.053057000     -0.261679000     -0.354345000
6       -0.272672000     -2.378673000     -1.880629000
1       -0.791598000     -2.359910000     -2.847718000
1        0.729817000     -1.936471000     -1.997106000
1       -0.117958000     -3.428287000     -1.596501000
6       -0.600557000     -0.790242000      2.852828000
1       -0.700008000     -1.747475000      3.383589000
1        0.476039000     -0.572138000      2.799564000
1       -1.082186000     -0.021146000      3.470949000

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
****
H C O 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





















































