%nprocshared=12
%mem=2GB
%chk=CGET_0018_RhOAcNO2ArAlkyne_OAceta2_noalky_78.chk
#p opt freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -0.54713300    2.45407000    0.01133700
 C                 -2.99630700    3.81525100    0.00004100
 C                  0.67748100    1.71824400   -0.01702900
 C                  1.71076200    1.08498800   -0.13085900
 C                 -1.60431400    2.10166400    0.86151300
 C                 -2.84540000    2.74195800    0.88208700
 C                 -0.76071900    3.51765700   -0.87218800
 C                 -1.97491000    4.19217700   -0.86662100
 H                 -3.93771700    4.35489000   -0.00838400
 H                 -2.12907600    5.02051000   -1.54985400
 H                  0.03231800    3.80422400   -1.55313000
 C                 -1.57627400   -0.10833000   -2.20531200
 C                 -2.85742500    0.39528300   -1.84201500
 C                 -1.71237700   -1.51886400   -2.41615600
 H                 -3.06720700    1.41998600   -1.56629100
 H                 -0.91699700   -2.20809400   -2.66560700
 C                 -3.78089900   -0.68402600   -1.79472100
 H                 -4.82365200   -0.62028400   -1.51670600
 C                 -3.07202300   -1.87427500   -2.16022100
 H                 -3.48420800   -2.87421700   -2.18740200
 H                 -0.66624000    0.46961000   -2.28873100
 Si                 3.38690100    0.27671400   -0.22685300
 C                  3.33415800   -1.04433400   -1.59038900
 H                  3.58328500   -0.49793600   -2.51266800
 C                  4.56898500    1.67855600   -0.72198200
 H                  4.06354800    2.17922800   -1.56181500
 C                  3.68563800   -0.36817600    1.53140800
 H                  3.46256900    0.50182700    2.16640800
 O                 -2.57554900   -2.67262600    1.01862500
 C                 -1.33665400   -2.76250300    1.28344900
 O                 -0.54933200   -2.03707900    0.58930600
 C                 -0.80321100   -3.68310000    2.32579000
 H                 -0.40788700   -4.57532800    1.82937800
 H                  0.01953700   -3.19980300    2.85707200
 H                 -1.58849300   -3.98112700    3.02062400
 Rh                -2.17821100   -1.10295900   -0.39125100
 O                 -2.12772700   -0.03522600    1.61807400
 O                 -0.59225900    1.05776800    2.65056900
 N                 -1.40552800    0.97005100    1.76607400
 C                  4.40455600   -2.13029500   -1.39229300
 C                  1.95007000   -1.67473100   -1.78790300
 C                  2.69557100   -1.48056400    1.91111000
 C                  5.13160400   -0.79294600    1.82210300
 C                  5.93017900    1.18510700   -1.23377600
 C                  4.73987300    2.70916200    0.40138200
 H                  4.43485000   -2.80073700   -2.25971700
 H                  5.40802900   -1.71140700   -1.26564300
 H                  4.18767100   -2.74532000   -0.51212000
 H                  5.82924000    0.50155000   -2.08340800
 H                  6.54587200    2.03051800   -1.56508500
 H                  6.49145100    0.66321300   -0.45080300
 H                  5.25608400    2.27340400    1.26465000
 H                  5.33901200    3.56228900    0.05982200
 H                  3.77780600    3.10112100    0.75064500
 H                  1.56873100   -2.13520900   -0.86954500
 H                  1.22021300   -0.92532500   -2.10982600
 H                  1.98789100   -2.45233600   -2.56129200
 H                  5.58948611   -1.29261022    0.96179773
 H                  5.76512392    0.05755368    2.09157950
 H                  5.15995794   -1.49908275    2.66137695
 H                  2.80133200   -1.74084000    2.97210700
 H                  1.65489600   -1.18740400    1.74072300
 H                  2.87834600   -2.39349900    1.33232000
 C                 -3.96930900    2.31592500    1.78751200
 H                 -4.39271600    1.36017900    1.46579200
 H                 -3.63454600    2.20049300    2.82300100
 H                 -4.76142700    3.06592700    1.77116200

-C -H -O -Si -N -F
6-31G(d,p)
****
-Br
LANL2DZ
D 1 1.0
0.428 1.0
****
-Rh
LANL2DZ
F 1 1.0
1.35 1.0
****
-Ag
LANL2DZ
F 1 1.0
1.611 1.0
****

-Br -Rh -Ag
LANL2DZ


