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

wwww

0 1
 N                 -1.28345400   -0.33569800   -0.29430000
 S                 -0.13268700    1.05933300   -0.45387200
 C                  1.46363900    0.20644800   -0.07655100
 O                 -0.35917100    2.23826300    0.67674300
 O                 -0.12909400    1.54426400   -2.01099800
 C                  2.09334500   -0.47908200   -1.10124500
 C                  1.93559600    0.26314300    1.22344700
 C                  3.27996200   -1.14489800   -0.79714800
 H                  1.68598000   -0.48877900   -2.10172000
 C                  3.12447900   -0.40754000    1.50742400
 H                  1.40669700    0.81940300    1.98354600
 C                  3.79039700   -1.10893000    0.50135700
 H                  3.79972600   -1.68704200   -1.57369100
 H                  3.52462800   -0.37944800    2.51050500
 H                  4.71100600   -1.62743700    0.72933200
 C                 -2.43445700   -0.12691100    0.32984000
 C                 -3.36689100   -1.31526000    0.37907300
 H                 -3.55776900   -1.52775300    1.43428500
 H                 -4.31904100   -0.98997600   -0.04858900
 N                 -2.86063000    0.99624900    0.91600600
 H                 -3.76652900    1.01540100    1.35266200
 H                 -2.25869700    1.80502400    1.00830700
 H                 -3.01994740   -2.19623623   -0.11933550

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




