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

ch3cn-oh_6311+Gd_aq

-1 1
 C	-0.175481000	 0.119648000	-0.027875000
 H	 0.166262000	-0.503842000	-0.855731000
 H	 0.241757000	 1.121514000	-0.142056000
 H	 0.181180000	-0.308771000	 0.910240000
 C	-1.624489000	 0.185328000	-0.023008000
 N	-2.779567000	 0.237890000	-0.019234000
 O	 3.227244000	 0.030779000	 0.004668000
 H	 4.193292000	 0.012159000	 0.000068000




