%nprocshared=32
%mem=16GB
#p opt freq wb97xd/genecp scrf=(smd,solvent=acetonitrile)

wwww

0 1
 N                  1.34332800    0.01903600   -0.05880900
 S                  0.03004500    1.12155400   -0.36743500
 C                 -1.55906500    0.29395700    0.14106800
 O                 -0.17151600    1.57977600   -1.93635000
 O                  0.29246500    2.35642800    0.67464700
 C                 -1.60301800   -0.31202700    1.38713800
 C                 -2.63674400    0.33623400   -0.72550400
 C                 -2.79609800   -0.91844200    1.77619500
 H                 -0.73436000   -0.32910600    2.03020300
 C                 -3.82537700   -0.27259800   -0.32079800
 H                 -2.54357900    0.81907000   -1.68740000
 C                 -3.90276300   -0.89659500    0.92454200
 H                 -2.85904200   -1.40391800    2.73959900
 H                 -4.68322500   -0.25885400   -0.97795200
 H                 -4.82526600   -1.36876100    1.23231200
 C                  1.46586900   -1.14412100   -0.80932700
 C                  2.60908037   -2.11096972   -0.62832838
 H                  2.44041061   -3.01035383   -1.21776048
 H                  3.54553330   -1.65567004   -0.95851983
 H                  2.72880233   -2.39427912    0.41724110
 N                  0.53230229   -1.28980516   -1.71185318
 H                  0.31460058   -0.42320182   -2.19964190
 K                  3.71852400    0.03739700    1.07685300

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




