%mem=40000MB
%nprocshared=20
#p opt=(maxstep=4) freq b3lyp/6-311+G(d) scrf=(smd,solvent=water) empiricaldispersion=gd3 nosymm

ch3cn-cn_6311+Gd_aq

-1 1
 C	 0.791678000	 0.127719000	 0.042361000
 H	 0.446866000	 0.693177000	-0.825213000
 H	 0.306772000	-0.850235000	 0.037811000
 H	 0.495842000	 0.660853000	 0.947545000
 C	 2.235863000	-0.027440000	 0.000029000
 N	 3.382928000	-0.150385000	-0.032958000
 C	-2.840502000	 0.391583000	 0.097414000
 N	-3.720136000	-0.359755000	-0.087144000




