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

ch3cn-sh_6311+Gd_aq

-1 1
 C	-0.941513000	 0.157574000	 0.122501000
 H	-0.630854000	 1.071193000	-0.387493000
 H	-0.664663000	 0.231055000	 1.175714000
 H	-0.409283000	-0.686317000	-0.319674000
 C	-2.376788000	-0.024559000	-0.005836000
 N	-3.517516000	-0.168678000	-0.107280000
 H	 3.998566000	-0.112018000	-0.063781000
 S	 2.644122000	-0.031348000	-0.019927000




