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

CGMM_0001_mesitylene

0 1
 C                 -5.11683700    0.20841800    1.35313100
 C                 -3.73387500   -0.01825800    1.91536300
 C                 -3.09695200    0.86931800    2.68863500
 C                 -3.69990200    2.18623800    3.11542700
 C                 -5.21556400    2.23345100    2.86336500
 C                 -5.55307900    1.67744800    1.47306300
 H                 -2.08957000    0.64940000    3.04088200
 H                 -3.24594100   -0.95971600    1.66484800
 H                 -5.02833700    2.27307300    0.71373500
 H                 -3.48348000    2.36436600    4.17726800
 H                 -3.20259300    3.00557700    2.57341700
 H                 -5.58560700    3.25933300    2.97185000
 H                 -5.72696800    1.62773700    3.62374700
 H                 -6.62532900    1.77149900    1.26641900
 H                 -5.83357900   -0.44087500    1.87958200
 H                 -5.14614400   -0.11364300    0.30373300

-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





