%nprocshared=8
%mem=2GB
%chk=CGET_0024_CpstarRhOAcArAlkyne_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  0.06350100    1.60784900   -0.37331000
 C                  0.84827200    0.65450300   -0.38048700
 C                 -2.04085500   -1.97195900   -0.95224100
 C                 -2.00406500   -0.84160100   -1.81867800
 C                 -2.89636600   -1.64536500    0.17539800
 C                 -2.83881700    0.18747600   -1.24554100
 C                 -3.42811200   -0.33161000   -0.04450900
 Si                 2.47548500   -0.28733600   -0.20227500
 C                  3.00315800   -0.03749400    1.60557900
 H                  2.47310100   -0.83106400    2.14990100
 C                  2.15100400   -2.10292400   -0.61762800
 H                  1.18746900   -2.32070700   -0.13862600
 C                  3.57885100    0.56434800   -1.49108400
 H                  3.01366900    0.47912500   -2.43091000
 O                 -0.10268500   -1.21836600    1.76849200
 C                 -0.43698300   -0.29173400    2.57105800
 O                 -1.19329000    0.62934700    2.12918400
 C                  0.02192300   -0.30132500    3.99301600
 H                  1.02173700   -0.73313700    4.06524400
 H                  0.01017100    0.70704500    4.40774500
 H                 -0.66245600   -0.92763800    4.57485000
 Rh                -1.26828500   -0.28383300    0.17271600
 C                  4.51312900   -0.25339400    1.79948600
 C                  2.58420400    1.31192800    2.20683600
 C                  3.78785700    2.05705000   -1.20104200
 C                  4.93031200   -0.13790600   -1.70252100
 C                  3.18754100   -3.06421600   -0.01874400
 C                  2.00062400   -2.32067300   -2.12866700
 H                  4.75896000   -0.26712300    2.86824600
 H                  4.86854800   -1.19467800    1.36857100
 H                  5.08792900    0.56051000    1.34422000
 H                  3.25018200   -2.97153700    1.07030800
 H                  2.92000000   -4.10366600   -0.24525900
 H                  4.18913500   -2.89183700   -0.42880000
 H                  2.94991600   -2.16856400   -2.65320300
 H                  1.67487200   -3.34538500   -2.34495500
 H                  1.26963200   -1.63601800   -2.57010200
 H                  3.08103600    2.14659400    1.69971300
 H                  1.50694400    1.48735800    2.13856800
 H                  2.86363100    1.36100700    3.26628400
 H                  5.57218100   -0.05088400   -0.82070700
 H                  4.82097800   -1.20318300   -1.92797400
 H                  5.46645400    0.32206000   -2.54150200
 H                  4.33766500    2.53621000   -2.02004600
 H                  2.84054200    2.59424900   -1.08331900
 H                  4.37033500    2.20422200   -0.28499800
 Br                -0.59561200    3.29638300   -0.32569800
 C                 -1.29648000   -0.70566700   -3.12344900
 C                 -3.18844100    1.47344000   -1.91014500
 C                 -4.37250000    0.40042700    0.84066300
 C                 -3.23577900   -2.55873000    1.30371100
 C                 -1.35247400   -3.27787500   -1.13755700
 H                 -3.46222800    2.24280100   -1.18668900
 H                 -2.36971500    1.84056400   -2.53162600
 H                 -4.05290100    1.30292600   -2.56155600
 H                 -5.38763500    0.27654800    0.44690000
 H                 -4.35075500    0.01346400    1.86016700
 H                 -4.14748100    1.46872200    0.86190400
 H                 -4.17713900   -3.07454800    1.08652900
 H                 -2.45858900   -3.31085300    1.44824000
 H                 -3.35847600   -2.00552700    2.23714100
 H                 -2.09718400   -4.03373300   -1.40924300
 H                 -0.60281100   -3.23109500   -1.92687100
 H                 -0.87030300   -3.60491800   -0.21308400
 H                 -2.03328900   -0.50360100   -3.90737600
 H                 -0.59093500    0.12982200   -3.10429600
 H                 -0.75993500   -1.61690900   -3.38660100

-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






