%nprocshared=48
%mem=16GB
#p opt=(calcfc,ts,noeigentest,maxstep=2) freq wb97xd/genecp
scrf=(smd,solvent=acetonitrile)

ts2_KF_int_IV-2a.xyz

0 1
 N                  0.11538900    0.92191500    0.00361400
 S                 -0.80120300   -0.16359300    1.15355500
 C                 -2.35492800   -0.58916900    0.22833800
 O                 -1.19268700    0.61413200    2.53307000
 O                  0.07391900   -1.50934800    1.35319700
 C                 -2.21358400   -1.14882100   -1.03090000
 C                 -3.56834900   -0.37589700    0.85698000
 C                 -3.37938700   -1.49506800   -1.71077800
 H                 -1.23874500   -1.29317100   -1.47427100
 C                 -4.72234100   -0.73431100    0.16031300
 H                 -3.61563900    0.06256400    1.84304600
 C                 -4.62588800   -1.28878100   -1.11626400
 H                 -3.30998800   -1.92531100   -2.69920100
 H                 -5.68900100   -0.57826000    0.61663800
 H                 -5.52483800   -1.56087000   -1.65108600
 C                 -0.40018600    2.14023800   -0.22061400
 C                  0.13754707    3.13899711   -1.20274616
 H                 -0.56643732    3.95790609   -1.32248817
 H                  1.07665314    3.54927500   -0.82759074
 H                  0.32395883    2.68980654   -2.17371915
 N                 -1.43729910    2.54201473    0.50286379
 H                 -1.81972306    3.46094666    0.36251440
 H                 -1.83708812    1.95270889    1.21510468
 B                  1.74710500    0.09763400   -0.68568600
 F                  1.08949900   -0.98986800   -1.24881100
 F                  2.09532900    1.16306000   -1.53458600
 F                  2.37200800    0.05470900    0.57138600
 F                  3.56675900   -0.85752400   -1.37364900
 K                  4.77516000   -0.88377500    0.68753900

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




