%nprocshared=20
%mem=2GB
%chk=CGET_0018_RhOAcNO2ArAlkyne_OAceta2_noalky_78.chk
# sp wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 O                 -4.19875500    0.20203700    0.43446700
 C                 -4.24422800    1.26015700    1.14443500
 O                 -3.34333600    2.13165600    0.93637100
 C                 -1.16707100   -2.05902100    0.76924600
 C                 -2.46396700   -2.53091500    0.64957100
 C                 -0.08648900   -2.56101500    0.03057700
 C                 -2.69631800   -3.58713600   -0.22502500
 C                 -0.35567900   -3.61732600   -0.84736000
 C                 -1.64485800   -4.12733600   -0.96346200
 H                 -3.26681100   -2.08033200    1.22197600
 H                 -3.69930600   -3.98567100   -0.32711000
 H                  0.45409600   -4.01924100   -1.44563500
 H                 -1.83207200   -4.94773200   -1.64775900
 Rh                -2.36263300    0.82317700   -0.45004300
 C                 -0.61628900    0.58722500   -1.72128200
 H                  0.33030500    0.24943000   -1.31798400
 C                 -1.06282600    1.93101100   -1.77744900
 H                 -0.50643600    2.80136500   -1.45746300
 C                 -2.41525000    1.91973000   -2.26769400
 H                 -3.05461700    2.78292400   -2.39456800
 C                 -1.67172700   -0.26744700   -2.17169700
 H                 -1.64028000   -1.34751000   -2.22335200
 C                 -2.77536400    0.56352100   -2.53217000
 H                 -3.74542200    0.22127600   -2.86790100
 C                 -5.28177600    1.45017100    2.19699700
 H                 -6.07540100    0.71007000    2.09338800
 H                 -4.80805500    1.33845200    3.17729200
 H                 -5.69210000    2.46032600    2.13342500
 O                 -1.50262700    0.13050600    1.50385000
 O                 -0.16800100   -1.12369800    2.61905500
 N                 -0.91730100   -0.95468700    1.69111100
 C                  1.18692600   -1.91648700    0.08088100
 C                  2.20403200   -1.24901500    0.10606500
 Si                 3.63490200   -0.05835500    0.11245200
 C                  4.86678100   -0.72672700   -1.16405300
 C                  4.37059400   -0.05739400    1.86292800
 C                  2.83676100    1.57874000   -0.43659100
 H                  2.31458700    1.31684900   -1.36946000
 C                  4.31543300   -0.61087600   -2.59212200
 H                  4.99498900   -1.08241500   -3.31222600
 H                  3.33860200   -1.09790200   -2.69415100
 H                  4.19874100    0.43698100   -2.89196200
 C                  3.84061700    2.68842700   -0.78343000
 H                  3.31223600    3.57913100   -1.14580900
 H                  4.42992200    2.99378100    0.08694100
 H                  4.53881200    2.38160000   -1.56839900
 C                  1.78446800    2.08327200    0.56220600
 H                  1.26381200    2.96433300    0.16599600
 H                  1.02707300    1.32433800    0.78959400
 H                  2.24593200    2.38064500    1.51038100
 C                  3.32713000   -0.30293900    2.96311600
 H                  3.80715800   -0.31129100    3.94933400
 H                  2.56388600    0.48261700    2.97739300
 H                  2.81481900   -1.26084700    2.83445300
 C                  5.17483600    1.21813200    2.16280600
 H                  4.51659800    2.09154600    2.22926500
 H                  5.69048000    1.12514400    3.12625300
 H                  5.93367200    1.42989100    1.40250000
 H                  5.07186100   -0.90503700    1.87192700
 C                  6.26735400   -0.10809400   -1.04870900
 H                  6.70606800   -0.27460400   -0.05952900
 H                  6.94614100   -0.55276200   -1.78690100
 H                  6.25429000    0.97218200   -1.22969000
 H                  4.96059800   -1.79670000   -0.92706000

-C -H -O -Si -N -F
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






