%nprocshared=32
%mem=16GB
%chk=ts_1_III.chk
#p opt=(ts,calcfc,noeigentest) freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N     0.077419     1.006957    -0.378567
 S     0.702764    -0.201684     0.616807
 C     2.425259    -0.175702     0.177573
 O     0.215187    -1.549480     0.299222
 O     0.536343     0.302035     1.976587
 C     2.990784    -1.270864    -0.467297
 C     3.174862     0.954277     0.504136
 C     4.344918    -1.231943    -0.790979
 H     2.383361    -2.136083    -0.707812
 C     4.524876     0.979198     0.175858
 H     2.712141     1.799083     1.003772
 C     5.107592    -0.111746    -0.470387
 H     4.801192    -2.078424    -1.293472
 H     5.122566     1.849993     0.424138
 H     6.162423    -0.086253    -0.725050
 C    -1.576317     1.654905    -0.086475
 C    -1.660743     2.597299    -1.266856
 H    -2.642474     3.079154    -1.242334
 H    -0.889510     3.373235    -1.217470
 H    -1.568263     2.059520    -2.210889
 N    -1.512990     2.325289     1.124956
 B    -2.669898     0.445125    -0.097283
 F    -3.963677     0.982694    -0.095220
 F    -2.516419    -0.383308     1.060785
 F    -2.529610    -0.397702    -1.238004
 K    -2.085775    -2.685154    -0.105524
 H    -0.841593     3.084231     1.165092
 H    -1.428840     1.718082     1.929852
 F     0.148231     0.428213    -1.678436

-B -F -K -C -H -O -F -S -N
6-311G++(d,p)
*****




