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

wwww

0 1
 N    -0.047653    -0.072416    -0.746416
 S     1.211237    -0.475072    -1.848126
 S    -0.894008     1.375373    -1.160033
 C     2.578424    -0.961844    -0.841782
 O     1.568727     0.762397    -2.519281
 O     0.772880    -1.603219    -2.670928
 C     0.232058     2.688469    -0.784015
 O    -2.013851     1.485038    -0.239552
 O    -1.186954     1.336836    -2.590116
 C     3.176127    -2.198236    -1.065690
 C     3.078798    -0.041555     0.075599
 C     0.558132     2.891423     0.555918
 C     0.705156     3.507016    -1.802587
 C     4.307650    -2.526725    -0.327003
 H     2.757338    -2.888740    -1.789006
 C     4.206468    -0.389336     0.807910
 H     2.593568     0.917057     0.223787
 C     1.409064     3.943718     0.873284
 H     0.155974     2.247417     1.329907
 C     1.545389     4.562473    -1.463699
 H     0.432426     3.312925    -2.832882
 C     4.816204    -1.627305     0.607698
 H     4.788040    -3.486992    -0.480580
 H     4.607872     0.306398     1.536650
 C     1.900075     4.774674    -0.133231
 H     1.681693     4.117242     1.908768
 H     1.927351     5.214384    -2.242007
 H     5.696120    -1.892416     1.185068
 H     2.561530     5.596173     0.122986
 C    -0.675472    -1.112159     0.167145
 C     0.052716    -2.443452     0.203697
 H    -0.532888    -3.090638     0.855008
 H     0.092295    -2.901805    -0.786139
 H     1.057735    -2.363900     0.613412
 N    -1.986450    -1.194833     0.263526
 B    -0.480673    -0.520875     2.047003
 F    -0.771049    -1.613895     2.804268
 F    -1.286943     0.558965     2.263673
 F     0.851689    -0.201197     2.012314
 K    -1.801036    -1.180956    -3.621582
 H    -2.467888    -0.316209     0.098600
 F    -2.648475    -1.642839    -1.412611

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




