%nprocshared=20
%mem=8GB
# sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine)

Title Card Required

0 1
 Rh                 0.30955100   -0.14806800   -0.20153400
 O                 -1.46130400   -1.18362700   -0.55661000
 O                  2.19106200    0.61797200    0.27097500
 O                 -0.45098300    0.72032200    1.53259200
 C                  1.66947000   -2.27506200   -1.60044700
 C                  2.26524400   -2.91430200   -2.87449800
 F                  1.30707400   -3.04887900   -3.81196600
 F                  3.23052500   -2.11939300   -3.37756000
 F                  2.79505000   -4.12030500   -2.63774800
 O                  1.15126600   -1.14105800   -1.81411700
 O                  1.76821900   -2.93733700   -0.53821100
 Rh                 0.96529700   -2.14533600    1.23319600
 O                 -0.88488100   -2.97067200    0.74335400
 O                  0.08350400   -1.08851400    2.82497500
 O                  2.77335400   -1.13243100    1.61152600
 C                 -1.63527400   -2.31117500   -0.01960600
 C                  2.94546200   -0.02252400    1.06133900
 C                 -3.01313800   -2.92928300   -0.34455400
 F                 -3.26591800   -2.85085400   -1.66607200
 F                 -3.97677000   -2.24523300    0.30377800
 F                 -3.08988300   -4.21510500    0.02167200
 C                  4.26789700    0.72067200    1.34337800
 F                  4.99895700    0.11942700    2.28663300
 F                  4.00159800    1.98158200    1.74808800
 F                  4.99912700    0.79531400    0.21497600
 C                 -0.37558100    0.05881100    2.60846600
 C                 -0.87917100    0.83160600    3.84775700
 F                 -1.95716600    1.58141700    3.55094500
 F                 -1.19492100    0.01686900    4.85891500
 F                  0.09942900    1.66849500    4.26629100
 C                  0.73443700    3.03979600   -0.20177200
 C                 -0.39904000    1.50008700   -1.52381200
 H                  1.56339800    2.55171800    0.31163900
 H                 -0.27864900    0.95411500   -2.46321700
 C                  0.48545800    2.80051900   -1.63220800
 C                  1.81557600    2.48314700   -2.35790900
 C                 -0.25177800    3.95939100   -2.34212700
 C                  2.70076400    3.72870600   -2.50556500
 H                  1.54673500    2.09892800   -3.34912100
 H                  2.35050400    1.68470600   -1.83858700
 C                  0.64220500    5.19981200   -2.50307400
 H                 -0.55510400    3.58306200   -3.32604200
 H                 -1.16796700    4.21257400   -1.80240800
 C                  1.95688100    4.86452800   -3.22028300
 H                  3.61440600    3.46335100   -3.04899500
 H                  3.01778600    4.06915400   -1.50806100
 H                  0.09143600    5.97346600   -3.04991800
 H                  0.86518800    5.61707600   -1.51084500
 H                  2.59182200    5.75569300   -3.28462400
 H                  1.73618000    4.55472800   -4.25122700
 O                 -0.05277700    3.76852200    0.47984700
 C                  0.10256500    3.85878100    1.93751100
 H                  0.22234200    4.91890100    2.15928100
 H                 -0.82091900    3.47261800    2.36275000
 H                  0.96886800    3.28011300    2.25852800
 C                 -1.78725200    1.71979500   -1.12640300
 H                 -1.96020700    2.39913600   -0.29435200
 C                 -2.84071900    1.05669100   -1.65471100
 H                 -2.64435200    0.33464600   -2.44493300
 C                 -4.23093100    1.12964600   -1.20186700
 C                 -5.12217200    0.10413200   -1.57872000
 C                 -4.72849600    2.17202300   -0.39144700
 C                 -6.45011400    0.11028500   -1.15379400
 H                 -4.75399600   -0.71608700   -2.18864300
 C                 -6.05578200    2.17691100    0.03128200
 H                 -4.07543800    2.99093200   -0.10326200
 C                 -6.92515600    1.14679800   -0.34593000
 H                 -7.11385400   -0.69709400   -1.45149200
 H                 -6.41794000    2.99174200    0.65268000
 H                 -7.96014900    1.15554000   -0.01620200

-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





