%nprocshared=8
%mem=2GB
%chk=CGMM_0005_MesNCDPh_eq_spbs.chk
# sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine)

CGMM_0005_MesNCDPh

0 1
 C                 -2.33138800   -1.03683500    0.76856900
 C                 -2.35385200   -1.05012100   -0.76625500
 C                 -1.08156900   -1.47221200   -0.01662200
 H                 -2.83372200   -1.85697200    1.27987000
 C                 -3.11431900   -2.15307800   -1.48237400
 H                 -3.06702900   -3.09443300   -0.92505500
 H                 -4.17036200   -1.88493800   -1.60279900
 H                 -2.69632400   -2.33138700   -2.48035500
 C                 -2.40055900    0.27135400    1.46123000
 C                 -2.41774500    0.28490700   -1.40916300
 C                 -2.39544600    1.44511800   -0.71391100
 C                 -2.37932600    1.42166600    0.74878900
 H                 -2.52571400    0.30183300   -2.49234000
 H                 -2.41360700    2.37661500    1.27001300
 C                 -2.43828600    2.79208600   -1.38977900
 C                 -2.51233400    0.23810400    2.95942200
 H                 -2.58890800    1.24276300    3.38576000
 H                 -3.39523000   -0.33583100    3.27225800
 H                 -1.64350900   -0.26244900    3.40746700
 H                 -3.30318100    3.37771700   -1.05220000
 H                 -1.54570700    3.38259600   -1.14479500
 H                 -2.49260100    2.69868300   -2.47845800
 H                 -0.92725600   -2.54880900   -0.00599800
 C                  0.15432200   -0.67791400   -0.02606300
 H                  0.03300400    0.40090800   -0.03424500
 C                  1.38789900   -1.21659600   -0.02219000
 H                  1.47730000   -2.30354400   -0.01310800
 C                  2.66582500   -0.49007700   -0.02560700
 C                  3.86655300   -1.22695700   -0.02049600
 C                  2.75998700    0.91761800   -0.03115900
 C                  5.10847500   -0.59082900   -0.02043400
 H                  3.81921700   -2.31352500   -0.01597500
 C                  3.99981100    1.55217700   -0.03127200
 H                  1.85816400    1.52267800   -0.03431800
 C                  5.18273900    0.80368900   -0.02587000
 H                  6.01807200   -1.18560100   -0.01594700
 H                  4.04511900    2.63814300   -0.03520100
 H                  6.14755000    1.30295900   -0.02546600

-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





