%nprocshared=8
%mem=2GB
# sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine)

CGMM_0001_mesitylene

0 1
 C                  2.97425400    0.33779200    0.00000000
 H                  2.82957800    1.41504900    0.00000100
 H                  4.00273400   -0.01127100    0.00000000
 C                  1.95633500   -0.53345000    0.00000000
 H                  2.19023400   -1.59820900    0.00000000
 C                  0.51550100   -0.22291800    0.00000000
 C                 -0.40770400   -1.28472300    0.00000000
 C                  0.01220100    1.09285700    0.00000000
 C                 -1.78273200   -1.04592700    0.00000000
 H                 -0.03867500   -2.30752100    0.00000000
 C                 -1.35998600    1.33194900    0.00000000
 H                  0.69781100    1.93480100    0.00000000
 C                 -2.26525600    0.26440300    0.00000000
 H                 -2.47583700   -1.88268600    0.00000000
 H                 -1.72681700    2.35477600    0.00000000
 H                 -3.33469800    0.45516400    0.00000000

-C -H -O -Si -N -F -Cl
6-311++G(d,p)
****
-Rh  
S   1   1.00
      2.6460000              1.0000000
S   1   1.00
      1.7510000              1.0000000
S   1   1.00
      0.5713000              1.0000000
S   1   1.00
      0.1438000              1.0000000
S   1   1.00
      0.0428000              1.0000000
P   1   1.00
      5.4400000              1.0000000
P   1   1.00
      1.3290000              1.0000000
P   1   1.00
      0.4845000              1.0000000
P   1   1.00
      0.0869000              1.0000000
P   1   1.00
      0.0257000              1.0000000
D   2   1.00
      3.6690000              0.0760059
      1.4230000              0.5158852
D   1   1.00
      0.5091000              1.0000000
D   1   1.00
      0.1610000              1.0000000
F   1   1.00
      1.3500000              1.0000000
****

-Rh
RH-ECP     3     28
f potential
  5
0    600.3243032             -0.0538958
1    157.6910176            -20.1316282
2     49.8841995           -105.3654121
2     15.5966895            -42.3274370
2      5.5099296             -3.6654043
s-f potential
  5
0     59.3442526              2.9753728
1     83.7426061             25.1230306
2     18.4530248            626.0926145
2     12.4194606           -812.2549385
2      8.8172913            467.3729340
p-f potential
  5
0     53.4309068              4.9537213
1     65.6671843             20.4871116
2     16.8369862            598.0120139
2     11.3042136           -718.4059028
2      8.0312444            382.8173151
d-f potential
  4
0     64.3993653              3.0279532
1     43.4625053             24.7526516
2     19.4020301            142.6844289
2      4.6879328             32.1406857





