%mem=3000MB
%nprocshared=4
#p opt=maxstep=4 freq=noraman b3lyp/6-311+g(d) scrf=(smd,solvent=water)
nosymm empiricaldispersion=gd3

ch3cn-Ts_6311+Gd

-1 1
 C                  0.19787400   -0.05019800   -0.29818100
 H                  0.74274900   -0.25296400   -1.22172400
 H                  0.39648400    0.97684800    0.01134100
 H                  0.55496200   -0.72822700    0.47796700
 C                 -1.22354200   -0.23958800   -0.51162000
 N                 -2.35654700   -0.39228700   -0.68422100
 C                  5.64742400   -2.48232000   -2.81716400
 C                  5.48355600   -1.33823300   -2.03912000
 C                  5.17714300   -1.46927100   -0.68585300
 C                  5.02646000   -2.73157900   -0.11280500
 C                  5.19218300   -3.86558500   -0.90354500
 C                  5.50666100   -3.76145800   -2.26481100
 H                  5.88841100   -2.37770200   -3.87048600
 H                  5.59773100   -0.35565100   -2.48127000
 H                  4.78703900   -2.83394100    0.93933100
 H                  5.07597400   -4.84691300   -0.45366500
 C                  5.71765100   -4.99575700   -3.10130600
 H                  6.73602400   -5.37884700   -2.97299900
 H                  5.03400800   -5.79737200   -2.81100300
 H                  5.57710500   -4.78998100   -4.16452600
 S                  4.87630200    0.00015800    0.31540200
 O                  5.36200000   -0.32375600    1.69135100
 O                  3.39770300    0.23153400    0.27696300
 O                  5.64303000    1.11220400   -0.32329900

