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

wwww

0 1
 N     0.008515    -0.407535     0.202182
 S     0.751896    -0.088364    -1.477238
 S    -1.876523    -0.538610     0.028301
 C     2.245460     0.949975    -1.162003
 O    -0.354891     0.799859    -2.245271
 O     1.166824    -1.519818    -2.108050
 C    -2.432163     1.222979    -0.200665
 O    -2.475858    -1.047056     1.442815
 O    -2.192849    -1.423301    -1.283798
 C     3.467192     0.458697    -1.585745
 C     2.037347     2.191593    -0.588600
 C    -2.181728     2.105882     0.834273
 C    -3.130310     1.528430    -1.353735
 C     4.572473     1.286512    -1.403910
 H     3.558691    -0.522209    -2.028128
 C     3.160533     2.995776    -0.412301
 H     1.056712     2.519831    -0.276812
 C    -2.659932     3.407117     0.682161
 H    -1.636229     1.810688     1.718056
 C    -3.607865     2.832270    -1.475490
 H    -3.283007     0.793696    -2.128950
 C     4.417320     2.544331    -0.819267
 H     5.547336     0.945293    -1.718787
 H     3.048522     3.969843     0.039940
 C    -3.369187     3.765193    -0.465194
 H    -2.478373     4.131034     1.462671
 H    -4.158890     3.113027    -2.360893
 H     5.281677     3.177427    -0.679513
 H    -3.737368     4.775495    -0.572164
 C     0.715860    -1.286010     1.113626
 C     2.202420    -1.381751     0.951072
 H     2.571894    -1.942034     1.804690
 H     2.464927    -1.932730     0.048307
 H     2.690566    -0.411520     0.933541
 N     0.157606    -1.849579     2.108922
 B     0.772592     0.225106     3.162160
 F     1.552872    -0.539337     3.944767
 F    -0.561037     0.350148     3.333745
 F     1.373344     1.113594     2.333542
 K    -0.621544    -3.547347    -1.864309
 H    -0.858836    -1.856345     2.130428
 F    -0.489459    -3.648077     0.449302

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




