%nprocshared=8
%mem=2GB
%chk=CGET_0018_RhOAcNO2ArAlkyne_OAceta2_noalky_78_spbs.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -0.66620300    2.49683700   -0.30460600
 C                 -3.18146800    3.69479300   -0.00152900
 C                  0.60849400    1.86011700   -0.40361000
 C                  1.67102000    1.26744000   -0.41297700
 C                 -1.53452000    2.17175700    0.74600100
 C                 -2.78801500    2.74313300    0.94349600
 C                 -1.10206900    3.45998900   -1.21985200
 C                 -2.35254900    4.04763900   -1.06335300
 H                 -4.15506400    4.16221900    0.10499500
 H                 -2.68604700    4.79182400   -1.77834600
 H                 -0.45201500    3.74073500   -2.04055100
 C                 -1.68910200   -0.11143900   -2.28641200
 C                 -2.94722100    0.27143500   -1.70243400
 C                 -1.71596400   -1.51212300   -2.50020300
 H                 -3.23007900    1.27178800   -1.40460100
 H                 -0.89726100   -2.11296900   -2.87423400
 C                 -3.73586500   -0.88927900   -1.54630500
 H                 -4.71357500   -0.93746400   -1.08616900
 C                 -2.96240900   -2.01627600   -2.00096200
 H                 -3.27627800   -3.05113800   -1.99576900
 H                 -0.86116800    0.54686200   -2.50930000
 Si                 3.28336200    0.34400000   -0.28268800
 C                  3.26387400   -1.02030000   -1.60614500
 H                  3.64429900   -0.53384700   -2.51650000
 C                  4.63056500    1.62361800   -0.65941800
 H                  4.28868200    2.11714900   -1.58118300
 C                  3.30537900   -0.26183200    1.51665000
 H                  3.05490700    0.63764300    2.09899900
 O                 -2.52462900   -2.29910900    1.31976500
 C                 -1.38053300   -2.85250600    1.35784900
 O                 -0.58293000   -2.58596900    0.40013100
 C                 -0.96352100   -3.72414900    2.48996100
 H                 -0.22774500   -4.45583400    2.15388400
 H                 -0.49972000   -3.08947000    3.25239800
 H                 -1.82998500   -4.22017100    2.92937500
 Rh                -1.92425900   -1.15274100   -0.39239300
 O                 -1.02744600   -0.02452400    1.34908400
 O                 -0.76095500    1.51536500    2.81296700
 N                 -1.07972600    1.16344900    1.70341700
 C                  4.21276700   -2.18144000   -1.26856400
 C                  1.85499100   -1.54846700   -1.91432700
 C                  2.21286100   -1.30664600    1.78786700
 C                  4.67401800   -0.75904900    2.00442500
 C                  6.00220500    1.00027800   -0.95604400
 C                  4.72787200    2.69276500    0.43779800
 H                  4.25716700   -2.89352900   -2.10175200
 H                  5.23537300   -1.84608400   -1.06740200
 H                  3.86460900   -2.73301500   -0.38875100
 H                  5.95945700    0.29377200   -1.79155600
 H                  6.72806900    1.77848100   -1.22221300
 H                  6.40396700    0.46610300   -0.08829100
 H                  5.08291300    2.26411500    1.38203200
 H                  5.43458700    3.48113600    0.15173200
 H                  3.76050500    3.17005800    0.63068000
 H                  1.37708800   -1.97976200   -1.02766500
 H                  1.20170700   -0.75443600   -2.29005500
 H                  1.89943300   -2.33266200   -2.68106500
 H                  5.01540700   -1.63412800    1.44137500
 H                  5.44635200    0.01249000    1.92691600
 H                  4.61457700   -1.05520600    3.05933700
 H                  2.14892800   -1.52349500    2.86171500
 H                  1.22484500   -0.97192400    1.45916100
 H                  2.42540400   -2.25172500    1.27674600
 C                 -3.67370000    2.34757900    2.09242500
 H                 -3.76418300    1.25961000    2.17833700
 H                 -3.27613400    2.72531900    3.03914200
 H                 -4.67411100    2.76139700    1.95602700

-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






