%nprocshared=12
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -2.81963300   -1.10096200   -0.20954800
 C                 -2.53782500    0.19688900    0.24467600
 C                 -3.97283600   -1.83737100    0.14564000
 C                 -3.45093900    0.79537100    1.10398800
 C                 -4.85687100   -1.18264100    0.99821500
 C                 -4.60333600    0.10456000    1.46850000
 H                 -3.27111600    1.78759700    1.50202600
 H                 -5.76316800   -1.69558600    1.30246600
 H                 -5.31884100    0.57573600    2.13544200
 Rh                -0.82846400    1.00610400   -0.46160500
 C                 -1.51410000    2.35790800   -2.02228300
 H                 -2.25592000    2.08171200   -2.75883800
 C                 -0.07695200    2.29067200   -2.19987100
 H                  0.42748600    1.87903200   -3.06369800
 C                  0.52988000    2.76904400   -1.03861600
 H                  1.59069800    2.81664500   -0.84075700
 C                 -1.76882100    2.96213000   -0.76013800
 H                 -2.74146600    3.17458900   -0.33979000
 C                 -0.51664900    3.11648200   -0.09793200
 H                 -0.36739300    3.52606700    0.89195100
 O                 -0.87239900   -0.87788100   -1.40484800
 O                 -1.87108800   -2.76732000   -1.52068100
 C                 -4.28792100   -3.22756100   -0.32682000
 H                 -4.34225300   -3.27845100   -1.41762500
 H                 -5.24816000   -3.54165700    0.08646000
 H                 -3.52134900   -3.94018500   -0.01197700
 N                 -1.83261400   -1.64099000   -1.08230000
 Si                 2.54235700   -0.46771000    0.06428400
 C                  2.99630700   -1.96034000    1.14198700
 C                  2.39626000   -0.91181200   -1.77208700
 C                  3.61532400    1.08131300    0.32951800
 H                  2.17639900   -2.67203500    0.96562100
 H                  1.65723700   -0.20557600   -2.17739000
 H                  3.48972800    1.67823600   -0.58562300
 C                  3.01663600   -1.62664900    2.64028100
 C                  4.30445700   -2.65126200    0.72315000
 C                  3.19093400    1.94651200    1.52464400
 C                  5.10791100    0.72733800    0.44064900
 C                  1.86779500   -2.33538500   -2.00189700
 C                  3.71119500   -0.69771000   -2.53841500
 H                  3.84931500    2.81892700    1.61465200
 H                  2.16441100    2.31330200    1.42965600
 H                  3.25591200    1.38985500    2.46638000
 H                  5.31591300    0.20728900    1.38168200
 H                  5.45696500    0.09062400   -0.37817800
 H                  5.71514800    1.64039100    0.43146900
 H                  4.42009800   -3.59778400    1.26473900
 H                  4.33825500   -2.88073400   -0.34631600
 H                  5.17778800   -2.03499200    0.95710800
 H                  3.19265100   -2.53238900    3.23284000
 H                  3.81873300   -0.91936500    2.87912600
 H                  2.07281300   -1.18879300    2.98292700
 H                  4.49921800   -1.37091100   -2.18213100
 H                  3.56527200   -0.90670900   -3.60497000
 H                  4.08359100    0.32827300   -2.45293000
 H                  0.93095000   -2.52516700   -1.47299100
 H                  1.67756100   -2.50350900   -3.06872000
 H                  2.59717200   -3.08603700   -1.68014100
 C                  0.83764000    0.01060100    0.71939300
 C                 -0.07170700    0.30388900    1.51808400
 Cl                -0.75059200    0.45337200    3.03078700

-C -H -O -Si -N -F -Cl
6-311++G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****
-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
****
-Ag     
S   1   1.00
      2.9500000              1.0000000
S   1   1.00
      2.1490000              1.0000000
S   1   1.00
      0.6684000              1.0000000
S   1   1.00
      0.0997000              1.0000000
S   1   1.00
      0.0347000              1.0000000
P   1   1.00
      6.5530000              1.0000000
P   1   1.00
      1.5650000              1.0000000
P   1   1.00
      0.5748000              1.0000000
P   1   1.00
      0.0833000              1.0000000
P   1   1.00
      0.0252000              1.0000000
D   2   1.00
      3.3910000              0.1396938
      1.5990000              0.4744421
D   1   1.00
      0.6282000              1.0000000
D   1   1.00
      0.2108000              1.0000000
F   1   1.00
      1.6110000              1.0000000
****

-Br
LANL2DZ
-I
LANL2DZ
-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
-Ag
AG-ECP     3     28
f potential
  5
0    568.7006237             -0.0587930
1    162.3579066            -20.1145146
2     51.1025755           -104.2733114
2     16.9205822            -40.4539787
2      6.1669596             -3.4420009
s-f potential
  5
0     76.0974658              2.9861527
1     15.3327359             35.1576460
2     18.7715345            450.1809906
2     13.3663294           -866.0248308
2      9.8236948            523.1110176
p-f potential
  5
0     56.3318043              4.9640671
1     69.0609098             21.5028219
2     19.2717998            546.0275453
2     12.5770654           -600.3822556
2      8.7956670            348.2949289
d-f potential
  5
0     53.4641078              3.0467486
1     40.1975457             23.3656705
2     11.9086073            777.2540117
2      9.7528183          -1238.8602423
2      8.1788997            608.0677121









