%chk=sp_ts_HFIP_deprot_rad_OMe.chk
%mem=20GB
%nprocshared=12
#p ub3lyp
scrf=(smd,solvent=dichloroethane) nosymm pop=full def2tzvpp
empiricaldispersion=gd3bj scf=xqc

Title Card Required

0 2
 O                  0.02856400    2.67063000    0.34409600
 C                 -0.62341600    3.83020500   -0.06708500
 H                 -0.60186600    3.97840900   -1.16001900
 H                 -1.66788400    3.85955600    0.29949600
 H                 -0.10483700    4.67828700    0.42322900
 C                 -3.18897700    0.48069300   -0.00575700
 C                 -1.67692900    0.24829600    0.13710800
 H                 -1.41415900    0.53539500    1.17276900
 C                 -1.26197400   -1.22869500   -0.00014500
 F                 -3.45043100    1.79093000    0.11566500
 F                 -3.88778400   -0.16570900    0.93790100
 F                 -3.64602400    0.08491300   -1.20158400
 F                  0.05006700   -1.34712500    0.23507300
 F                 -1.91276700   -2.00960400    0.87287100
 F                 -1.50182700   -1.69913800   -1.23089800
 O                 -1.00110300    0.99267700   -0.79910000
 H                 -0.18012300    1.83558700   -0.31875600


