%chk=ts3_so2cf3_degradation.chk
%mem=120GB
%nprocshared=24
#p opt=(calcall,ts,modredundant,noeigentest) freq ub3lyp/def2svp
scrf=(smd,solvent=acetonitrile) pop=full empiricaldispersion=gd3bj gfinput
iop(6/7=3) scf=save

Title Card Required

0 3
 C                 -2.07850400    1.29677700    0.54767100
 H                 -2.48091900    2.14275300    1.11739700
 H                 -1.30239500    0.82609400    1.15877300
 C                 -1.42529700    1.84503000   -0.75729400
 H                 -2.22245600    2.30023500   -1.36173500
 H                 -1.00795100    1.00908900   -1.32930200
 C                 -0.37693700    2.86213300   -0.47701900
 H                 -0.68933000    3.81417700   -0.05074000
 C                  1.02836700    2.58862100   -0.55086400
 H                  1.32294200    1.77326600   -1.20739100
 H                  1.68122300    3.45504500   -0.62048900
 S                  4.07842400   -0.26915200   -0.16454400
 O                  3.70057200    0.41019800   -1.41193800
 O                  4.76482600   -1.56347000   -0.29439600
 Cl                 1.65093000    1.84373500    1.23184400
 C                  1.32219800   -1.57604800    0.26728500
 F                  0.57342200   -0.99630000   -0.65827500
 F                  1.62705000   -2.82475800   -0.06519400
 F                  0.76827800   -1.51522500    1.46663500
 C                 -3.17573300    0.30361400    0.24865400
 C                 -4.46502300    0.74261100   -0.09136300
 C                 -2.92303900   -1.07610000    0.26872800
 C                 -5.47567100   -0.17136700   -0.40197300
 H                 -4.67761700    1.80971000   -0.10778300
 C                 -3.93101900   -1.99503400   -0.04058100
 H                 -1.93074700   -1.43238900    0.53453500
 C                 -5.21145000   -1.54552400   -0.37828900
 H                 -6.46939800    0.18801600   -0.65812800
 H                 -3.71619900   -3.06063300   -0.01463600
 H                 -5.99703700   -2.25799600   -0.61669000

B 12 16 B

