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

opt freq

0 1
6       -5.064557000      1.873676000      0.340763000
1       -5.462102000      2.865997000      0.538021000
6       -5.873109000      0.802701000      0.057919000
1       -6.953874000      0.932743000      0.025784000
6       -3.650491000      1.698834000      0.382240000
6       -5.321284000     -0.464844000     -0.190786000
1       -5.965897000     -1.310632000     -0.410696000
6       -3.946199000     -0.591671000     -0.142426000
6       -3.234482000     -1.864161000     -0.380376000
6       -3.888580000     -3.052359000     -0.701809000
1       -4.971318000     -3.072408000     -0.789311000
6       -3.152534000     -4.208246000     -0.913766000
1       -3.658749000     -5.137858000     -1.165677000
6       -1.768790000     -4.161777000     -0.802530000
1       -1.152087000     -5.042047000     -0.962165000
6       -1.174971000     -2.951336000     -0.480498000
1       -0.094710000     -2.856881000     -0.380341000
6        0.846229000     -0.531445000      0.229489000
6        1.658024000     -0.470403000     -0.912366000
6        2.930525000     -1.029143000     -0.910697000
6        3.419596000     -1.649141000      0.239514000
6        2.634532000     -1.706292000      1.386673000
6        1.358642000     -1.146652000      1.377520000
7       -3.147283000      0.464326000      0.134450000
7       -1.882250000     -1.835083000     -0.273486000
8       -2.858723000      2.664116000      0.644984000
46      -1.065839000      0.070028000      0.193436000
6        4.785290000     -2.245626000      0.192923000
9        5.165192000     -2.765812000      1.366108000
9        4.866908000     -3.231069000     -0.718582000
9        5.714728000     -1.341049000     -0.157752000
1        0.754203000     -1.199022000      2.285201000
1        3.017642000     -2.184817000      2.286231000
1        3.553207000     -0.982994000     -1.804929000
1        1.298001000      0.020284000     -1.818210000
6        2.354914000      3.668478000     -1.545258000
8        1.869852000      3.486549000     -2.648987000
6        1.656605000      3.188432000     -0.318177000
6        0.406676000      2.583012000     -0.457506000
6        2.218636000      3.284040000      0.960106000
6       -0.286330000      2.042824000      0.636868000
6        1.545251000      2.786347000      2.071984000
6        0.311702000      2.169861000      1.907667000
1(Iso=2)       -0.019013000      2.522295000     -1.460017000
1(Iso=2)        3.193596000      3.750975000      1.095736000
1(Iso=2)       -1.595961000      2.244193000      0.620033000
1(Iso=2)        1.993611000      2.872938000      3.060403000
1(Iso=2)       -0.207960000      1.769556000      2.780068000
6        3.676794000      4.371035000     -1.387460000
1        4.032440000      4.689356000     -2.371602000
1        3.587371000      5.248157000     -0.732554000
1        4.423905000      3.703354000     -0.936755000

Pd     0
S   1   1.00
      2.7870000              1.0000000
S   1   1.00
      1.9650000              1.0000000
S   1   1.00
      0.6243000              1.0000000
S   1   1.00
      0.1496000              1.0000000
S   1   1.00
      0.0436000              1.0000000
P   1   1.00
      5.9990000              1.0000000
P   1   1.00
      1.4430000              1.0000000
P   1   1.00
      0.5264000              1.0000000
P   1   1.00
      0.0899000              1.0000000
P   1   1.00
      0.0262000              1.0000000
D   2   1.00
      6.0910000              0.0376146
      1.7190000              0.5200479
D   1   1.00
      0.6056000              1.0000000
D   1   1.00
      0.1883000              1.0000000
F   1   1.00
      1.4720000              1.0000000
****
C F H O N 0
6-31G*
****

PD     0
PD-ECP     3     28
f-ul potential
  5
0    598.3336444             -0.0563177
1    162.4298290            -20.1288036
2     51.5714771           -105.8197923
2     16.4888260            -42.5733345
2      5.8287656             -3.6165086
s-ul potential
  5
0     73.3806304              3.0003651
1     14.7550438             32.4350093
2     17.8350204            459.0830383
2     12.7111477           -868.0629029
2      9.3292063            514.4726098
p-ul potential
  5
0     55.6689877              4.9593099
1     64.2337771             21.1711029
2     17.6254952            605.0560092
2     11.9058155           -726.9641846
2      8.5100832            396.3274883
d-ul potential
  5
0     49.9994728              3.0508745
1     39.7477547             22.2506580
2     11.4321366            674.8357698
2      9.1790080          -1040.8554048
2      7.5624429            505.9375147























































