%chk=ts_HFIP_deprot_rad_OMe.chk
%mem=120GB
%nprocshared=24
#p opt=(ts,calcall,noeigentest,modredundant) freq ub3lyp scrf=(smd,solvent=dichloroethane) nosymm
pop=full def2svp empiricaldispersion=gd3bj scf=xqc

Title Card Required

0 2
 O                  0.13213100    3.03958200    0.38144700
 C                 -0.70279900    4.03205600   -0.01875300
 H                 -1.24254800    3.82502200   -0.96262700
 H                 -1.48511500    4.10794400    0.78280700
 H                 -0.21129100    5.02635200   -0.01880500
 C                 -3.02599067    0.52821852   -0.08579037
 C                 -1.56318067    0.11042652    0.12617663
 H                 -1.31791067    0.37504752    1.17034363
 C                 -1.35112167   -1.40198748    0.00627963
 F                 -3.12162367    1.86768252   -0.00078937
 F                 -3.84193867    0.00612152    0.84169863
 F                 -3.48936767    0.16938952   -1.29014137
 F                 -0.07935967   -1.70537648    0.29819163
 F                 -2.13887267   -2.08510548    0.85199563
 F                 -1.59980067   -1.84749548   -1.23282137
 O                 -0.75292167    0.73145352   -0.81198637
 H                 -0.24976146    1.75597668   -0.28236293

B 1 17 B

