%nprocshared=20
%mem=8000MB
%chk=CGET_0010_TS.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  2.61243700   -0.49484300    1.00251400
 C                  2.17506600   -0.09497400   -0.27358800
 C                  3.88623500   -1.03212200    1.26556800
 C                  3.07846800   -0.19441700   -1.33422000
 C                  4.74526900   -1.10035200    0.17014100
 C                  4.35825400   -0.67317100   -1.10056000
 H                  2.77349600    0.09299900   -2.33450800
 H                  5.74657700   -1.48980700    0.32104000
 H                  5.06889400   -0.72550700   -1.91899900
 Rh                 0.65886900    1.34392300   -0.21539200
 C                  1.18141800    3.47299700    0.06409800
 H                  1.69643500    3.82225400    0.94923100
 C                 -0.26176900    3.36630200   -0.08024000
 H                 -0.99098000    3.64116700    0.66899400
 C                 -0.52876800    2.86056300   -1.36306300
 H                 -1.49893300    2.65269800   -1.78920200
 C                  1.78365800    3.04905200   -1.13286900
 H                  2.84446400    2.98156000   -1.32895800
 C                  0.73484500    2.57268100   -1.98959400
 H                  0.86353700    2.15294100   -2.97847700
 O                  0.82138700    0.65516300    1.85185300
 O                  1.70657900   -0.84845200    3.10640700
 C                  4.36281300   -1.47435200    2.62003600
 H                  4.20886200   -0.69996200    3.37671200
 H                  5.42854500   -1.70524700    2.57116100
 H                  3.82616800   -2.36519700    2.95530400
 N                  1.68211300   -0.24137200    2.05874400
 Si                -2.46596300   -0.29499800    0.32237000
 C                 -2.95042600   -2.10412000    0.62893300
 C                 -2.52911900    0.74903800    1.90704800
 C                 -3.39180300    0.54608200   -1.10849900
 H                 -2.16652700   -2.49303800    1.29543700
 H                 -1.81097000    1.56138300    1.72525500
 H                 -3.25482200    1.62337800   -0.93448000
 C                 -2.95223200   -2.95354000   -0.64957700
 C                 -4.29703300   -2.25061600    1.35871600
 C                 -2.81991300    0.20456500   -2.49241100
 C                 -4.90319500    0.26652800   -1.07523900
 C                 -2.05024100   -0.01928600    3.14770300
 C                 -3.90024900    1.39402500    2.15649900
 H                 -3.33766400    0.77251500   -3.27508500
 H                 -1.75078500    0.42739900   -2.57025200
 H                 -2.94831200   -0.85864500   -2.72235500
 H                 -5.11368700   -0.78498600   -1.29656300
 H                 -5.35604500    0.50018600   -0.10705900
 H                 -5.41819700    0.86853300   -1.83354400
 H                 -4.48837500   -3.30692200    1.58397300
 H                 -4.32863900   -1.70378900    2.30522300
 H                 -5.12906700   -1.89563400    0.74236600
 H                 -3.12066500   -4.01033200   -0.40979100
 H                 -3.75309000   -2.64317800   -1.32957300
 H                 -2.00752000   -2.88770800   -1.19698000
 H                 -4.68347400    0.64183200    2.30275700
 H                 -3.87200000    2.01196300    3.06252400
 H                 -4.20746000    2.04056900    1.32783200
 H                 -1.07828900   -0.49602400    2.99452100
 H                 -1.94501200    0.66268600    4.00018500
 H                 -2.76440700   -0.79563200    3.44052100
 C                 -0.65188400   -0.30414300   -0.20538900
 C                  0.39944900   -0.83005500   -0.70743300
 Br                 0.77017400   -2.29823300   -1.80989900

-C -H -O -Si -N -F -Cl
6-311++G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 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
-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






