%nprocshared=20
%mem=8000MB
%chk=CGET_0031_AgAlkyne.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 Si                -1.44578400    0.16446700   -0.03351500
 C                 -1.90822000    1.82244300   -0.82511200
 C                 -1.90820500   -1.34216000   -1.08690600
 C                 -1.93982000   -0.07565200    1.77972800
 H                 -1.30898000    1.85875800   -1.74651900
 H                 -1.31601900   -2.17452000   -0.67125200
 H                 -1.88699600   -1.16245200    1.94458300
 C                 -1.49759500    3.01761700    0.04702000
 C                 -3.38588800    1.91815400   -1.23467600
 C                 -0.98790400    0.59614900    2.77999500
 C                 -3.39052000    0.36811200    2.03384700
 C                 -1.49568500   -1.15589300   -2.55347600
 C                 -3.38203200   -1.75486600   -0.96072700
 H                 -1.32085300    0.40702600    3.80738500
 H                  0.03659400    0.22063900    2.68900900
 H                 -0.95701900    1.68203000    2.64034500
 H                 -3.49454100    1.45348800    1.93129900
 H                 -4.10428000   -0.09926500    1.34805700
 H                 -3.69408000    0.10646200    3.05433100
 H                 -3.57816300    2.88631400   -1.71259700
 H                 -3.66554200    1.14009000   -1.95097700
 H                 -4.05741900    1.84086300   -0.37342600
 H                 -1.67522300    3.95861000   -0.48692100
 H                 -2.07831600    3.05437200    0.97530000
 H                 -0.43604100    2.98803800    0.31621000
 H                 -4.06132800   -0.97490800   -1.31916300
 H                 -3.57572900   -2.65383300   -1.55777900
 H                 -3.65155800   -1.98540700    0.07481100
 H                 -0.43246200   -0.90751200   -2.65467400
 H                 -1.67754600   -2.07273500   -3.12626000
 H                 -2.06891400   -0.35236200   -3.02944600
 C                  0.44746100    0.23798800   -0.07173100
 C                  1.61683100    0.61307500   -0.13761000
 Br                 3.23407100    1.41189000   -0.25118300
 Ag                 1.39184400   -1.94591900    0.04058000

-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






