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

opt freq

 0 1
6        0.567963000     -1.724546000     -1.400106000
8        0.127815000     -0.691020000     -0.695306000
6        0.914216000     -2.966928000     -0.655227000
6        0.264604000     -3.252612000      0.550184000
6        1.886740000     -3.858611000     -1.118251000
6        0.580373000     -4.397819000      1.274693000
6        2.205241000     -5.001858000     -0.394951000
6        1.555088000     -5.275678000      0.806709000
1       -0.491420000     -2.555849000      0.918811000
1        2.429753000     -3.621304000     -2.033213000
1        0.072070000     -4.601796000      2.218021000
1        2.979991000     -5.674071000     -0.761871000
1        1.811532000     -6.166474000      1.378611000
55      -0.404348000      2.086728000     -1.958830000
6        0.572591000     -1.715994000     -2.755031000
1        0.805356000     -2.615399000     -3.321747000
1        0.306978000     -0.823250000     -3.325222000
6        0.253199000      6.038165000     -1.385022000
6       -1.069735000      5.734595000     -1.047464000
6        1.281328000      5.456385000     -0.641908000
1       -1.883180000      6.172592000     -1.630759000
1        2.319683000      5.677786000     -0.900116000
6       -1.373380000      4.890993000      0.021435000
6        1.010955000      4.605124000      0.433984000
6       -0.320016000      4.340136000      0.758752000
1       -0.545129000      3.670879000      1.594103000
6        0.553137000      6.989604000     -2.504960000
1        1.571081000      6.854726000     -2.891812000
1       -0.147429000      6.865786000     -3.341164000
1        0.468867000      8.033535000     -2.169902000
6       -2.790594000      4.520987000      0.342545000
1       -3.506187000      5.096360000     -0.257853000
1       -2.969800000      3.450750000      0.149615000
1       -3.020056000      4.691778000      1.403334000
6        2.125753000      3.939674000      1.184919000
1        1.889969000      3.839466000      2.253907000
1        2.306391000      2.919280000      0.805096000
1        3.068158000      4.494802000      1.092679000

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





















































