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

ch3sch3-cn_6311+Gd_aq

-1 1
 C	-0.036012000	-0.538803000	-0.008651000
 H	-0.439982000	-0.006613000	-0.871186000
 H	-0.385180000	-1.571814000	-0.038196000
 H	-0.397128000	-0.071945000	 0.908966000
 S	 1.790958000	-0.562475000	-0.053553000
 C	 2.096757000	 1.237762000	 0.003312000
 H	 1.693647000	 1.671593000	 0.921083000
 H	 3.176903000	 1.394676000	-0.017264000
 H	 1.650311000	 1.735355000	-0.860493000
 C	-3.697132000	-0.626119000	 0.196482000
 N	-3.592746000	 0.481854000	-0.169106000




