%mem=3000MB
%nprocshared=4
#p opt=(calcfc,maxstep=2) freq=noraman b3lyp/6-311+g(d) scrf=(smd,solvent=water) nosymm 
empiricaldispersion=gd3 scf=qc int=superfinegrid

ch3sh-nhcho_6311+Gd

-1 1
 C                 -1.57762600   -0.06595400   -0.01793600
 H                 -1.06931000   -1.05220200   -0.10083700
 H                 -1.33112000    0.55615100   -0.91536300
 H                 -1.24183100    0.46886600    0.90088300
 N                  2.24894000    0.30667500    0.25679800
 H                  2.73792500    0.02940400   -0.59126600
 C                  3.07694400    0.18714300    1.26696500
 O                  2.80597200    0.44603300    2.49433400
 H                  4.10561500   -0.16399300    1.06223500
 S                 -3.39977400   -0.29037300   -0.02138400
 H                 -3.48433500   -1.04858200    1.14153000

