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

ch3cn-och3_6311+Gd_aq

-1 1
 C	-0.189447000	 0.147507000	-0.016850000
 H	 0.158559000	-0.471452000	-0.845656000
 H	 0.210483000	 1.155998000	-0.135532000
 H	 0.181102000	-0.272541000	 0.919794000
 C	-1.639416000	 0.188568000	-0.002986000
 N	-2.795140000	 0.222029000	 0.008044000
 O	 3.297272000	-0.116714000	-0.022337000
 C	 4.446833000	 0.689772000	-0.020445000
 H	 5.389492000	 0.109273000	 0.057623000
 H	 4.552059000	 1.303104000	-0.939291000
 H	 4.472965000	 1.411522000	 0.822154000




