%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       -5.098953947      0.878491622     -0.403379553
1       -5.645824947      1.816674622     -0.451563553
6       -5.678083947     -0.326045378     -0.694609553
1       -6.721957947     -0.378476378     -0.999433553
6       -3.728894947      0.939958622     -0.017966553
6       -4.921518947     -1.500245378     -0.580194553
1       -5.372075947     -2.462433378     -0.801966553
6       -3.594280947     -1.393331378     -0.210056553
6       -2.750659947     -2.593727378     -0.043657553
6       -3.283789947     -3.883088378      0.006760447
1       -4.357573947     -4.030510378     -0.058704553
6       -2.446399947     -4.974931378      0.164887447
1       -2.861228947     -5.979825378      0.205471447
6       -1.078217947     -4.764731378      0.277794447
1       -0.379268947     -5.587258378      0.401966447
6       -0.607259947     -3.464016378      0.236503447
1        0.453941053     -3.246082378      0.328257447
6        1.163956053     -0.838928378      0.008247447
6        1.924788053     -0.641529378     -1.149026553
6        3.287246053     -0.909646378     -1.146505553
6        3.908690053     -1.358938378      0.019886447
6        3.166922053     -1.538539378      1.181836447
6        1.796813053     -1.279255378      1.172857447
7       -2.989765947     -0.197227378      0.024696447
7       -1.415564947     -2.404541378      0.086015447
8       -3.234092947      2.087839622      0.276248447
46      -0.780086947     -0.430986378      0.007113447
6        5.373827053     -1.635874378     -0.025882553
9        5.866647053     -2.019774378      1.157510447
9        5.667594053     -2.606351378     -0.908845553
9        6.072247053     -0.557429378     -0.415583553
1        1.221858053     -1.426349378      2.089000447
1        3.654997053     -1.875961378      2.094202447
1        3.879343053     -0.764598378     -2.050576553
1        1.451991053     -0.264658378     -2.056134553
6       -0.208285669      2.752621525      0.435816237
8       -1.006604121      3.123158319      1.354645133
6       -0.412683411      1.579976945     -0.317442344
1       -2.265175947      2.128893622      1.008804447
1        0.216067209      1.406561688     -1.190495382
1       -1.461900862      1.299017336     -0.458773391
6        1.031416360      3.562088599      0.310413271
6        1.023281883      4.883614009      0.768416677
6        2.201871367      3.043109122     -0.252082134
6        2.157141992      5.676393352      0.648454185
6        3.340482492      3.832344235     -0.354886404
6        3.319068920      5.151999906      0.088709408
1        0.109636591      5.280624779      1.206958558
1        2.232119813      2.007569496     -0.587025766
1        2.135345485      6.708224355      0.995712426
1        4.250330994      3.414199631     -0.782596689
1        4.210297480      5.771570583     -0.000024644

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





















































