%nprocshared=20
%mem=8GB
#p opt=(maxstep=3) freq=noraman wb97xd/genecp scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                  2.47599700   -1.00285900    0.09192000
 C                  2.06001000    0.33790900    0.11587500
 C                  3.69022300   -1.45097200   -0.47691000
 C                  2.90444100    1.28833400   -0.44349400
 C                  4.49734700   -0.45382900   -1.01665200
 C                  4.11683400    0.88677400   -0.99771700
 H                  2.62678200    2.33612200   -0.46163900
 H                  5.44470000   -0.73559000   -1.46413800
 H                  4.77970200    1.63178100   -1.42718200
 Rh                 0.27352300    0.66888300    0.99893600
 C                  0.78638600    1.48001400    2.94906000
 H                  1.55355900    1.05736800    3.58347900
 C                 -0.63396600    1.19990900    3.03539000
 H                 -1.08725600    0.46891800    3.69139100
 C                 -1.29244000    1.96878200    2.07622300
 H                 -2.35111800    1.96286800    1.86169800
 C                  0.96994500    2.50012400    1.97605300
 H                  1.91011300    2.95316500    1.69593700
 C                 -0.29088700    2.72763300    1.35248600
 H                 -0.48726300    3.43315500    0.55673900
 O                  0.54096200   -1.40623900    1.25965800
 O                  1.73238500   -3.10633700    0.73947000
 C                  4.14221100   -2.88217800   -0.52884500
 H                  4.23022400   -3.31404300    0.47171700
 H                  5.11558200   -2.93721700   -1.01985800
 H                  3.43521500   -3.50444900   -1.08377700
 N                  1.56706800   -1.90875500    0.70955600
 Si                -2.84076800   -1.00082500   -0.04569900
 C                 -3.23230100   -2.02141600   -1.57679100
 C                 -2.58999200   -2.07878300    1.47136500
 C                 -4.11681500    0.34178400    0.30582900
 H                 -2.37193200   -2.67099400   -1.78116800
 H                 -1.98735800   -1.51902700    2.19725200
 H                 -4.06332300    0.58313700    1.37537800
 C                 -3.59559500   -1.21199700   -2.82707500
 C                 -4.01660300    1.62201300   -0.53199400
 C                 -1.97374400   -3.45850200    1.21298600
 H                 -4.78305700    2.34622800   -0.23763800
 H                 -3.04019500    2.10467200   -0.41274600
 H                 -4.14718800    1.41875100   -1.59915200
 H                 -3.76047800   -1.86843300   -3.68763500
 H                 -4.51304100   -0.63481300   -2.67502500
 H                 -2.80249000   -0.50762500   -3.10125900
 H                 -0.99027700   -3.38064000    0.74186900
 H                 -1.84167000   -4.00852200    2.15060300
 H                 -2.61228100   -4.06562800    0.56316000
 C                 -1.25623700   -0.08598100   -0.49855800
 C                 -0.40792800    0.56374000   -1.13892300
 Br                 0.26772800    1.30328000   -2.66554300
 H                 -4.06059700   -2.69362500   -1.31430400
 H                 -3.58009500   -2.19652500    1.93295200
 H                 -5.10207400   -0.12311500    0.16371500

-C -H -O -Si -N -F -Cl
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
****
-I
LANL2DZ
D 1 1.0
0.289 1.0
****

-Br -Rh -Ag -I
LANL2DZ







