%mem=20000MB
%nprocshared=12
#p opt=maxstep=2 freq=noraman b3lyp/6-311+g(d) scrf=(smd,solvent=water)
nosymm empiricaldispersion=gd3 int=superfinegrid guess=always

ch3cn-nhcho_6311+Gd

-1 1
 C                 -1.62920100   -0.09370400    0.10146000
 H                 -1.09322200   -0.97439800   -0.25836600
 H                 -1.33336500    0.77154700   -0.49537500
 H                 -1.35902700    0.08481900    1.14407800
 N                  2.31235600    0.36297200    0.27256200
 H                  2.77774800    0.07165800   -0.58636800
 C                  3.13264200    0.17038000    1.27192600
 O                  2.88375900    0.42169900    2.50429100
 H                  4.13872900   -0.24714100    1.05912400
 C                 -3.05932600   -0.30503900   -0.01094900
 N                 -4.19977400   -0.47336900   -0.09920700

