%mem=20000MB
%nprocshared=12
#p opt=maxstep=3 freq=noraman b3lyp/6-311+g(d) scrf=(smd,solvent=water)
nosymm empiricaldispersion=gd3

ch3nhcho-sh_6311+Gd

-1 1
 N                 -0.36476800    0.26710600    0.09871900
 H                 -0.10387800    0.63679700   -0.80436400
 C                  0.08712000    0.89757700    1.18502400
 O                 -0.16146900    0.55903000    2.35275100
 H                  0.71748200    1.76955000    0.96181700
 C                 -1.22705803   -0.90954352    0.15504301
 H                 -1.45365503   -1.23313652   -0.85807299
 H                 -0.72742403   -1.72302152    0.68372001
 H                 -2.16079903   -0.68057952    0.67171501
 S                 -3.40420225   -3.77307226    0.10758293
 H                 -4.16363507   -4.83678557    0.19632859

