%mem=16GB
%chk=ts1-2F-i03
#p opt=(ts,noeigentest,calcfc) freq wb97xd/genecp scrf=(solvent=acetonitrile,smd)

wwww

0 1
 N    -0.048695    -0.026617    -0.377037
 S    -1.036623     0.951927    -1.272863
 S    -0.180443    -1.648145    -0.604032
 C    -1.875094     1.942664    -0.048560
 O    -2.049118     0.192466    -2.000236
 O    -0.201783     1.874070    -2.061303
 C    -1.771150    -2.163488     0.003355
 O     0.814027    -2.257859     0.281712
 O    -0.050707    -2.036275    -2.017220
 C    -1.860195     3.327745    -0.171729
 C    -2.586455     1.308347     0.967280
 C    -1.926463    -2.261599     1.386563
 C    -2.804354    -2.464543    -0.875764
 C    -2.559240     4.094656     0.757199
 H    -1.300529     3.795283    -0.974283
 C    -3.279618     2.084240     1.888627
 H    -2.594436     0.226787     1.047274
 C    -3.158683    -2.657075     1.894569
 H    -1.098917    -2.025943     2.047551
 C    -4.031179    -2.863402    -0.352549
 H    -2.649947    -2.377013    -1.944036
 C    -3.264229     3.475051     1.785387
 H    -2.548611     5.176649     0.675993
 H    -3.830706     1.601360     2.688999
 C    -4.208718    -2.954477     1.025798
 H    -3.297288    -2.736388     2.967772
 H    -4.848937    -3.100614    -1.025198
 H    -3.804250     4.076588     2.509758
 H    -5.169054    -3.263424     1.426687
 C     1.839390     0.872571     0.089300
 C     1.292280     2.090180     0.784863
 H     2.139104     2.551577     1.299530
 H     0.851956     2.825053     0.110435
 H     0.566074     1.779831     1.535172
 N     2.276620     1.149476    -1.121700
 B     2.720768    -0.123308     1.116759
 F     3.745820     0.746124     1.532758
 F     3.325368    -1.221002     0.470051
 F     1.939866    -0.507743     2.190636
 K     2.750816    -2.686642    -1.538903
 H     1.702736     1.680727    -1.781662
 F     2.823645     0.088085    -1.841101

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




