%nprocshared=20
%mem=2GB
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  1.92362300   -0.66360000   -1.10377900
 C                  4.51109100   -0.51413500   -2.16794100
 C                  0.52682100   -0.74169300   -0.61040500
 C                 -0.45700000    0.12126500   -0.51314700
 C                  3.04020700   -0.37304600   -0.31018800
 C                  4.34957000   -0.29513800   -0.79828500
 C                  2.14345400   -0.89467900   -2.46142100
 C                  3.42744500   -0.81272500   -2.98613200
 H                  5.50660700   -0.44119900   -2.59323300
 H                  3.58369400   -0.97948000   -4.04651700
 H                  1.30180200   -1.13707500   -3.10014600
 C                 -0.20949000    3.40863200   -1.44875000
 C                  0.64502200    2.53010700   -2.19403900
 C                  0.62269500    4.15414800   -0.52285600
 H                  0.34860100    1.86311300   -2.99023900
 H                  0.25799700    4.87401600    0.19731200
 C                  1.93962800    2.63247400   -1.62851200
 H                  2.80436500    2.05227000   -1.92568500
 C                  1.92945300    3.67942900   -0.62403400
 H                  2.77270900    3.97785900   -0.01640700
 H                 -1.26250300    3.57854700   -1.62029800
 Si                -2.33329400   -0.00765500   -0.96092500
 C                 -3.30310000    1.62842700   -0.77558200
 H                 -2.94841500    2.24631900   -1.61380100
 C                 -2.13619300   -0.33544300   -2.84453400
 H                 -1.33432400    0.35762500   -3.13935200
 C                 -3.17944200   -1.43446500   -0.02989000
 H                 -2.43697700   -2.23921700   -0.01540100
 O                 -0.33559900    2.25155600    1.78350600
 C                 -0.75099800    1.71826700    2.85656800
 O                 -0.75801000    0.50351600    3.16507400
 Ag                -0.16646900   -1.34410700    2.14169200
 C                 -1.31139600    2.70198700    3.86407700
 H                 -2.20677800    3.16897100    3.44142800
 H                 -1.56797800    2.20570800    4.80019900
 H                 -0.58353700    3.49579500    4.05118200
 Rh                 0.54053600    1.94135200   -0.13166500
 O                  1.91993600    0.77149300    1.35782800
 O                  3.47454900   -0.59190400    1.94219700
 N                  2.80627500   -0.05600500    1.08522900
 C                 -4.81366100    1.40263200   -0.99383800
 C                 -3.13155400    2.43918500    0.51368600
 C                 -3.51207400   -1.07836200    1.42728900
 C                 -4.42443900   -2.00091100   -0.73352200
 C                 -3.35795300    0.01568900   -3.70644900
 C                 -1.65274300   -1.75171300   -3.18115800
 H                 -5.31336700    2.36939700   -1.13091400
 H                 -5.05420800    0.78615700   -1.86216900
 H                 -5.26645600    0.93042300   -0.11609100
 H                 -3.65876400    1.06169800   -3.59752000
 H                 -3.12765300   -0.14844100   -4.76660600
 H                 -4.22178700   -0.61313100   -3.46432500
 H                 -2.39764000   -2.50931500   -2.91654200
 H                 -1.46275300   -1.84613300   -4.25762100
 H                 -0.72750600   -2.01110300   -2.66203200
 H                 -3.38101300    1.84242700    1.39834500
 H                 -2.11809600    2.81157400    0.64966600
 H                 -3.81218400    3.30053700    0.50385600
 H                 -5.25036500   -1.28462700   -0.74361700
 H                 -4.22588600   -2.29209900   -1.76893900
 H                 -4.77697100   -2.89468300   -0.20404600
 H                 -3.80754700   -1.97460600    1.98684400
 H                 -2.67235300   -0.61512700    1.95843900
 H                 -4.34664500   -0.37117800    1.48059400
 C                  5.53437900    0.05138700    0.06174600
 H                  5.32703200    0.89668400    0.72469800
 H                  5.82477700   -0.79638900    0.68779800
 H                  6.38287300    0.31528500   -0.57195400
 I                  0.29898700   -3.03156200   -0.04070600

-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









