%mem=16GB
%chk=Int2F-i05.chk
#p opt freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N    -0.078198    -0.009503    -0.547619
 S    -1.039013     1.052595    -1.383552
 S    -0.218200    -1.615169    -0.926018
 C    -1.842005     1.999008    -0.102908
 O    -2.089320     0.363915    -2.126025
 O    -0.165679     1.969936    -2.130203
 C    -1.712438    -2.149293    -0.125188
 O     0.882626    -2.286830    -0.232369
 O    -0.314148    -1.864563    -2.360319
 C    -1.918145     3.380969    -0.241734
 C    -2.447791     1.337260     0.961937
 C    -1.698465    -2.262807     1.265159
 C    -2.848582    -2.420477    -0.877347
 C    -2.604516     4.117412     0.719986
 H    -1.435160     3.871570    -1.079713
 C    -3.127078     2.084154     1.917678
 H    -2.376793     0.259165     1.056076
 C    -2.863883    -2.657156     1.912122
 H    -0.795463    -2.027896     1.819333
 C    -4.007780    -2.816893    -0.214590
 H    -2.823741    -2.309849    -1.954905
 C    -3.204474     3.471243     1.797802
 H    -2.665560     5.196824     0.626979
 H    -3.593375     1.580817     2.758295
 C    -4.015118    -2.932727     1.173107
 H    -2.873865    -2.749074     2.993313
 H    -4.905510    -3.031553    -0.785038
 H    -3.733426     4.049458     2.548868
 H    -4.922680    -3.239214     1.683882
 C     1.656746     0.751800     0.100244
 C     1.197144     2.091358     0.711636
 H     2.049701     2.521223     1.240196
 H     0.851519     2.806532    -0.034635
 H     0.412325     1.895505     1.441627
 N     2.341821     1.007279    -1.012542
 B     2.284195    -0.223825     1.335322
 F     3.082111     0.639613     2.106001
 F     3.134975    -1.240675     0.847365
 F     1.249018    -0.735204     2.106760
 K     3.240588    -2.764564    -1.138966
 H     1.865180     1.542282    -1.741790
 F     2.805507    -0.146747    -1.662373

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




