%nprocshared=20
%mem=8000MB
%chk=CGET_0021_TS_CH_H_Cpstar_pNO2_42.chk
#p opt=(calcfc,ts,noeigentest) freq=noraman wb97xd/genecp
scrf=(solvent=dichloroethane,smd)

Title Card Required

1 1
 O                  0.86337400    2.88017000   -1.03006400
 C                  2.07569100    2.67626900   -0.72846100
 O                  2.50554300    1.57880700   -0.26356500
 C                 -1.54080500    0.95070000    0.50344100
 C                 -0.75664400    0.88308300   -0.65447300
 C                 -2.88796700    0.57622200    0.61180400
 C                 -1.39503600    0.48689300   -1.82940800
 C                 -3.42331000    0.13144000   -0.60429600
 C                 -2.73261600    0.12170100   -1.81059800
 H                  0.18838200    1.80028800   -0.82430300
 H                 -0.84355700    0.46498400   -2.76315500
 H                 -3.24066600   -0.19822500   -2.71352300
 Rh                 1.20768800   -0.06960500    0.05751700
 C                  1.14976200   -1.94352000    1.12391600
 C                  2.51853100   -1.54667600    0.85832900
 C                  2.68768200   -1.49901500   -0.56487300
 C                  0.47646000   -2.10687800   -0.12058700
 C                  1.42212300   -1.80131100   -1.17632500
 C                  3.05940100    3.78738000   -0.95487500
 H                  3.17286200    3.93995200   -2.03241900
 H                  2.67160900    4.71418500   -0.52650900
 H                  4.02821700    3.54562800   -0.51884400
 O                  0.40137000    1.21917100    1.74005600
 O                 -1.39868200    2.07724700    2.53456700
 C                 -3.68702400    0.66655400    1.88269700
 H                 -3.13667100    0.23788900    2.72329800
 H                 -4.63502200    0.14236300    1.79638200
 H                 -3.88535900    1.71425700    2.11836500
 N                 -0.82518500    1.44687700    1.67805100
 C                  0.54107300   -2.11649700    2.47008400
 C                  3.58519400   -1.30616600    1.86958900
 C                 -0.92911000   -2.57668800   -0.28034700
 C                  1.16900400   -1.87220600   -2.64275000
 C                  3.94924300   -1.13581000   -1.26612000
 H                 -1.59393200   -2.09955600    0.44320900
 H                 -1.31054800   -2.38248400   -1.28193600
 H                 -0.96455000   -3.65676500   -0.10419200
 H                 -0.53849200   -1.95671600    2.43874900
 H                  0.72359100   -3.14107500    2.81236300
 H                  0.98025000   -1.43318400    3.19916100
 H                  3.16658313   -1.19802214    2.87174515
 H                  4.27503798   -2.15713054    1.87660315
 H                  4.15654573   -0.40727512    1.62939615
 H                  4.36631200   -0.21228700   -0.85662700
 H                  4.68321400   -1.93452100   -1.11819900
 H                  3.78815100   -1.00566600   -2.33683200
 H                  0.10271700   -1.85439600   -2.86944200
 H                  1.65167900   -1.04365100   -3.16602000
 H                  1.58765100   -2.80645000   -3.03230400
 N                 -4.79599600   -0.38811100   -0.66987200
 O                 -5.10320400   -1.28216300    0.10384300
 O                 -5.52801200    0.07677100   -1.52695600

-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




