%chk=sp_Br_ts_so2cf3_degradation.chk
%mem=24GB
%nprocshared=12
#p ub3lyp
scrf=(smd,solvent=dichloroethane) pop=full def2tzvpp
empiricaldispersion=gd3bj

Title Card Required

0 3
 C                 -2.02692200   -1.36682300   -0.26529800
 H                 -2.38747000   -2.32664500   -0.67082100
 H                 -1.27511600   -0.97992900   -0.96814500
 C                 -1.33672700   -1.63055600    1.09680200
 H                 -2.09965300   -2.02476100    1.79352900
 H                 -0.96468000   -0.68535900    1.51637400
 C                 -0.23968500   -2.62881300    1.00060300
 H                 -0.51306700   -3.63338300    0.65538400
 C                  1.08869100   -2.36361700    1.24922800
 H                  1.40199300   -1.40762400    1.67545400
 H                  1.81576600   -3.17790800    1.27429400
 S                  3.54314700    0.87066500    0.56472300
 O                  2.95567200    0.41593500    1.83477800
 O                  4.00428000    2.26463700    0.51975500
 C                  0.91290000    1.76181100   -0.37018900
 F                  0.14655900    1.25345300    0.56900900
 F                  1.11049400    3.04914000   -0.19784500
 F                  0.46667600    1.49263400   -1.57309800
 C                 -3.17577200   -0.39527000   -0.14585900
 C                 -4.40512300   -0.80444000    0.39712200
 C                 -3.03328100    0.94391800   -0.54061200
 C                 -5.46133900    0.09809600    0.54316100
 H                 -4.53565800   -1.84598900    0.70534800
 C                 -4.08842400    1.85060700   -0.39669500
 H                 -2.08661200    1.27720500   -0.97060800
 C                 -5.30582200    1.43137800    0.14733000
 H                 -6.41163500   -0.24062100    0.96421800
 H                 -3.95823400    2.88875600   -0.71348500
 H                 -6.13151500    2.13857400    0.25975200
 Br                 1.76261100   -1.68263800   -1.11055000


