%chk=tsbreak.chk
%mem=120GB
#p opt=(modredun) wb97xd/gen scrf=(smd,solvent=n,n-dimethylformamide)

Title Card Required

-1 1
 C     1.120799     3.874823    -1.512180
 C     2.328543     3.878124    -0.811434
 C     2.892072     2.693314    -0.354250
 C     2.264298     1.449500    -0.587068
 C     1.050228     1.462630    -1.306944
 C     0.490443     2.655091    -1.755054
 C     2.848902     0.212756    -0.121060
 C     4.112134    -0.021927     0.430676
 O     5.105213     0.585851     0.775820
 C     2.308796    -1.173750    -0.222422
 S     3.843098    -1.937523     0.437387
 S     0.827805    -1.317373     0.874560
 S    -0.203814    -3.363205     0.301297
 S    -1.280684    -3.049154    -1.461449
 S    -3.091572    -2.160238    -0.962334
 S    -2.877776    -0.119650    -1.254241
 S    -2.282253     0.710880     0.588912
 S    -3.948310     1.156492     1.609799
 F    -4.284053    -0.231181     2.432642
 H     3.831743     2.708992     0.189445
 H     0.543753     0.525244    -1.520974
 H     2.837897     4.818473    -0.615834
 H    -0.446203     2.628122    -2.306674
 H     0.682913     4.803790    -1.864511
 H     2.027900    -1.556721    -1.208792

12 13 F

-O -C -H -S -F  
6-31g(d,p)
******

--link1--
%chk=tsbreak.chk
%mem=120GB
#p opt=(modredun,ts,calcfc,noeigentest) freq guess=read geom=checkpoint wb97xd/gen scrf=(smd,solvent=n,n-dimethylformamide)

Title Card Required

-1 1

12 13 A

-O -C -H -S -F  
6-31g(d,p)
******





