%mem=16000MB
%nprocshared=12
#p opt=(maxstep=4) freq b3lyp/6-311+G(d) scrf=(smd,solvent=water) empiricaldispersion=gd3 nosymm

ch3cn_6311+Gd_new

0 1
 C	-2.094833000	-0.708929000	 0.280083000
 H	-1.753587000	-1.745185000	 0.231650000
 H	-2.527727000	-0.524638000	 1.265703000
 H	-2.864665000	-0.554374000	-0.479035000
 C	-0.979831000	 0.193124000	 0.049271000
 N	-0.096022000	 0.911661000	-0.133701000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*


