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

ch3oTs-nhcho_6311+Gd

-1 1
 C                  2.80126000    0.74056700   -4.59715800
 C                  2.69607500    1.10837700   -3.25957600
 C                  1.45396700    0.99554100   -2.63385900
 C                  0.32789900    0.52547600   -3.30945000
 C                  0.45855800    0.16363800   -4.64604700
 C                  1.69025500    0.26860600   -5.30943500
 H                  3.75972400    0.82757100   -5.09747300
 H                  3.56094900    1.47365500   -2.71926700
 H                 -0.63075800    0.44501700   -2.80892200
 H                 -0.41044600   -0.20268000   -5.18245600
 C                  1.80711900   -0.09697500   -6.76457500
 H                  1.13920900   -0.91987400   -7.02432400
 H                  1.53309600    0.75906700   -7.39463900
 H                  2.82786900   -0.37795500   -7.02735200
 S                  1.31088300    1.43139400   -0.92399200
 O                 -0.07580600    1.76105200   -0.58485100
 O                  2.34547500    2.40317800   -0.54848600
 O                  1.68601000   -0.00593400   -0.25637500
 C                  1.76290800   -0.04761200    1.20870600
 H                  2.54813100    0.61931600    1.55938300
 H                  0.79889800    0.21472400    1.64181500
 H                  2.01199900   -1.08141200    1.43274200
 N                  1.22595200   -1.56305900    4.70445100
 C                  1.97809600   -0.53582100    4.41325400
 H                  2.94895500   -0.79407900    3.95480900
 H                  0.35582500   -1.21468900    5.12609000
 O                  1.75004100    0.71920100    4.58907700

