%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

ch3nhcho-nhcho_6311+Gd

-1 1
 C                 -1.11473900   -0.18621800    0.99369900
 H                 -0.48662600   -0.84859404    0.39667300
 H                 -0.76709200    0.83667600    0.86024800
 H                 -1.01429800   -0.45692350    2.04505600
 N                  2.44785400    1.13356400   -0.05217500
 H                  2.56637500    0.66251800   -0.94857200
 C                  2.23659900    0.22578660    0.86512600
 O                  2.04407900    0.45214600    2.11133305
 H                  2.22188600   -0.84073100    0.56056900
 N                 -2.50808000   -0.28380007    0.57157400
 H                 -2.96992200   -1.18290700    0.64591000
 C                 -3.22525000    0.73102900    0.08534200
 O                 -4.41042100    0.65351800   -0.27933100
 H                 -2.67508200    1.68050200    0.02624500

