%chk=ts_cf3_add_Phenyl_ring.chk
%mem=120GB
%nprocshared=24
#p opt=(calcall,ts,modredundant,noeigentest) freq ub3lyp
scrf=(smd,solvent=acetonitrile) nosymm pop=full def2svp
empiricaldispersion=gd3bj scf=xqc

-4.99792273

0 2
 C                 -0.11194400    0.02298100    0.31057300
 H                 -0.86536000   -0.73882600    0.05436900
 H                 -0.26751600    0.28502800    1.36989800
 C                 -0.35147300    1.27561400   -0.55814000
 H                 -0.20306700    1.02126000   -1.62079000
 H                  0.41684600    2.02617500   -0.29713800
 C                 -1.71516700    1.86765000   -0.35359700
 H                 -1.94237300    2.19609000    0.67002300
 C                 -2.64946000    2.00195500   -1.30044000
 H                 -2.46668800    1.68250300   -2.33312400
 H                 -3.62931000    2.43854600   -1.08200600
 C                  1.27116300   -0.55140000    0.13111900
 C                  1.51510400   -1.55321400   -0.82418200
 C                  2.35039400   -0.08378800    0.89696400
 C                  2.79994300   -2.07454000   -1.00725200
 H                  0.68292100   -1.93387700   -1.42322500
 C                  3.63560000   -0.60329900    0.71831300
 H                  2.17660700    0.68996400    1.65029100
 C                  3.86487800   -1.60179600   -0.23455100
 H                  2.96704200   -2.85853500   -1.75045900
 H                  4.46152400   -0.23216100    1.33091100
 H                  4.86861700   -2.01240900   -0.37042000
 C                  1.03273334   -2.85341300    1.14940041
 F                  0.05438934   -2.26535800    1.81945341
 F                  2.16090234   -2.81713100    1.83622541
 F                  0.70809934   -4.09710000    0.83702841

B 13 23 B

