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

wwww

0 1
 N                 -0.20114556   -0.27503461   -0.66308965
 S                  1.25175883   -0.33668575   -1.56273844
 C                  2.56180403   -0.96106395   -0.53204284
 O                  1.59672778    1.01352772   -2.02926194
 O                  1.07384115   -1.22438528   -2.72034762
 C                  3.23746332   -2.13492846   -0.89183249
 C                  2.91754775   -0.27877449    0.63921694
 C                  4.26886624   -2.62650359   -0.08036230
 H                  2.96584602   -2.65587084   -1.78611604
 C                  3.94894858   -0.77035133    1.45068876
 H                  2.40166813    0.61749812    0.91392337
 C                  4.62460719   -1.94421639    1.09089963
 H                  4.78474676   -3.52277547   -0.35506942
 H                  4.22056456   -0.24941001    2.34497334
 H                  5.41210516   -2.31954576    1.71047595
 C                 -0.54620840   -1.62561558   -0.19643917
 C                 -0.02699913   -2.12621722    1.16422968
 H                 -0.72631415   -2.82191160    1.57879915
 H                  0.91865521   -2.60842644    1.02964840
 H                  0.08741083   -1.29613425    1.82964129
 N                 -1.28599949   -2.39362146   -0.92874859
 H                 -1.52073678   -3.31238373   -0.61129892
 H                 -0.93712601    0.07573966   -1.24213212

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




