%nprocshared=20
%mem=8000MB
%chk=CGET_TS_CHactivation_4membered.chk
#p opt=(calcfc,ts,noeigentest) freq=noraman wb97xd/genecp
scrf=(smd,solvent=dichloroethane)

Title Card Required

1 1
 C                 -2.19480700   -1.02010700    1.43825600
 H                 -2.46260000   -0.30813700    2.20440800
 C                 -2.91118300   -1.24152200    0.21053500
 H                 -3.76705300   -0.67205600   -0.12512300
 C                 -2.22583200   -2.22426100   -0.53042500
 H                 -2.47754700   -2.56836700   -1.52412100
 C                 -1.10170200   -1.94425700    1.47897600
 H                 -0.36280200   -2.02218800    2.26494000
 C                 -1.08389200   -2.64709800    0.24607200
 H                 -0.34579500   -3.37604700   -0.06023200
 Rh                -0.86466000   -0.55100300   -0.15485200
 C                  2.01775600    0.14625900   -0.17635700
 C                  1.07145600    0.90758400    1.89285100
 C                  3.32645900    0.16386900    0.31277500
 C                  2.36199800    0.94975800    2.42459800
 H                  0.21740200    1.20561400    2.49168000
 C                  3.45149300    0.57686500    1.65080200
 H                  2.51788900    1.26667100    3.45032200
 H                  4.44553200    0.60061200    2.08581700
 O                 -1.02812200    1.52375200   -0.84482900
 O                 -2.63296000    1.94769200    0.67298000
 C                 -1.95714200    2.30882800   -0.26665900
 C                 -2.05491900    3.65802800   -0.92137800
 H                 -1.09857100    4.17941500   -0.81923900
 H                 -2.24889000    3.53558500   -1.99027300
 H                 -2.84927000    4.24422600   -0.46021400
 C                  0.88281300    0.49784000    0.57726600
 H                 -0.06800100    1.22762700   -0.07659000
 O                  0.54981800   -0.58100300   -1.81935000
 O                  2.59146900   -0.27217500   -2.38848300
 N                  1.73324700   -0.25961000   -1.54063400
 C                  4.55403000   -0.23749000   -0.45393000
 H                  5.40337100   -0.30429400    0.22819500
 H                  4.42461900   -1.20335800   -0.94883400
 H                  4.78789000    0.49519500   -1.23079100

-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




