%nprocshared=48
%mem=16GB
#p opt freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N    -0.327292    -0.772351    -0.371683
 S    -1.033445    -0.975082     1.274763
 S     1.620700    -0.359806    -0.438220
 C    -2.812306    -0.608228     0.877872
 O    -0.489551     0.233741     2.211070
 O    -0.953003    -2.499578     1.849913
 C     1.243538     1.474056    -0.570117
 O     1.905744    -1.132076    -1.826450
 O     1.924243    -1.016301     1.019388
 C    -3.739406    -1.628247     0.984565
 C    -3.119036     0.688364     0.498531
 C     1.080164     1.984270    -1.841270
 C     1.157950     2.204481     0.595644
 C    -5.067181    -1.323195     0.684075
 H    -3.441002    -2.620533     1.288958
 C    -4.449817     0.971717     0.199497
 H    -2.355728     1.450251     0.432298
 C     0.799195     3.347158    -1.944336
 H     1.170481     1.361496    -2.718540
 C     0.876582     3.564999     0.467585
 H     1.269690     1.735762     1.560936
 C    -5.417211    -0.031276     0.291836
 H    -5.819291    -2.095470     0.753961
 H    -4.726359     1.971261    -0.102919
 C     0.697490     4.131821    -0.795211
 H     0.663394     3.786442    -2.922022
 H     0.797482     4.173651     1.356782
 H    -6.447259     0.196257     0.056642
 H     0.479831     5.186678    -0.883576
 C    -0.921478    -1.586944    -1.400047
 C    -1.022961    -0.888171    -2.718160
 H    -1.538502    -1.532605    -3.426359
 H    -1.570911     0.048301    -2.605315
 H    -0.032796    -0.658384    -3.107779
 N    -1.392886    -2.766544    -1.236204
 H    -1.251918    -3.169341    -0.305761
 F     3.534373     0.337135    -0.397369
 K     4.399336    -0.605216     1.769692

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




