%mem=3000MB
%nprocshared=12
#p freq=noraman b3lyp/6-311+g(d)
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym)

ch3nhcho-cn_6311+Gd_ch2cl2

-1 1
 N                 -1.61730100   -0.86906800    0.00553800
 H                 -1.87522100   -1.84556900    0.01056100
 C                 -2.60760900    0.03878700    0.00400800
 O                 -2.45097700    1.25774000   -0.00034600
 H                 -3.61127300   -0.42024700    0.00771100
 C                 -0.20347900   -0.51085900    0.00275300
 H                  0.38743200   -1.42463800    0.00287800
 H                  0.05345600    0.07348200   -0.88277600
 H                  0.05508500    0.07581600    0.88669900
 C                  3.44221400    0.09049700   -0.09194400
 N                  4.59038400    0.26459600    0.06429000

