%nprocshared=32
%mem=16GB
#p opt=(ts,calcfc,noeigentest,maxstep=2) freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N     0.520606    -0.935157    -0.123884
 S    -0.596667    -0.566683     1.046596
 C    -2.122825    -0.393975     0.143618
 O    -0.325146     0.686167     1.771015
 O    -0.723295    -1.758834     1.881631
 C    -2.963413     0.663205     0.459294
 C    -2.483842    -1.369089    -0.778226
 C    -4.194908     0.754892    -0.181656
 H    -2.671321     1.401471     1.196966
 C    -3.713354    -1.262645    -1.414160
 H    -1.812951    -2.188658    -1.006560
 C    -4.566926    -0.202082    -1.118701
 H    -4.860678     1.577043     0.054445
 H    -4.004896    -2.010158    -2.142985
 H    -5.525539    -0.124806    -1.619394
 C     1.737315    -1.234183     0.227342
 C     2.382680    -2.377212    -0.539544
 H     3.470843    -2.363204    -0.492752
 H     2.034531    -3.304025    -0.073459
 H     2.059073    -2.372263    -1.578835
 N     2.308530    -0.947468     1.468091
 B     2.880432     0.350249    -0.833147
 F     4.097955    -0.113015    -0.508744
 F     2.478679     1.428720    -0.145082
 F     2.483207     0.153834    -2.083959
 K     0.172856     2.790696     0.182157
 H     1.948121    -0.155708     1.983518
 H     3.313741    -1.026983     1.519685
 F     0.056218     0.657794    -0.962195

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




