%mem=16GB
%chk=Int2B.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N     0.089186     0.144930    -0.729878
 S    -0.925923     1.095778    -1.710928
 S     0.015664    -1.565684    -0.692648
 C    -1.987303     1.908110    -0.546377
 O    -1.711868     0.160423    -2.495214
 O    -0.075912     2.090532    -2.341617
 C    -1.587181    -1.855484    -0.006772
 O     1.032874    -1.923674     0.284674
 O     0.082596    -2.101411    -2.039684
 C    -1.709395     3.223218    -0.182487
 C    -3.091496     1.218345    -0.048042
 C    -1.771012    -1.620234     1.355942
 C    -2.608482    -2.322004    -0.827632
 C    -2.552438     3.852112     0.729138
 H    -0.852408     3.740309    -0.598966
 C    -3.920265     1.859547     0.864616
 H    -3.315039     0.210457    -0.379067
 C    -3.024172    -1.859202     1.906018
 H    -0.955512    -1.256578     1.972346
 C    -3.858729    -2.552586    -0.260414
 H    -2.431124    -2.487809    -1.883812
 C    -3.648227     3.170582     1.254860
 H    -2.351020     4.875877     1.025834
 H    -4.781839     1.335189     1.264202
 C    -4.064355    -2.320288     1.098040
 H    -3.189723    -1.681891     2.963205
 H    -4.670484    -2.914624    -0.882137
 H    -4.299736     3.666245     1.967378
 H    -5.042326    -2.501609     1.532260
 C     1.284536     0.781980    -0.154208
 C     1.069606     1.366839     1.206926
 H     2.017010     1.416410     1.746089
 H     0.686939     2.388667     1.100715
 H     0.342182     0.788280     1.778071
 N     2.393931     0.808450    -0.754487
 H     2.335017     0.388874    -1.682817

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




