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

ch3nh2-Ts_6311+Gd

-1 1
 N                 -4.80288200    2.12210300   -0.00666300
 H                 -4.43256800    1.17591000   -0.03123100
 H                 -4.44421200    2.57774000   -0.84141000
 C                 -4.27197500    2.81289400    1.18074400
 H                 -4.64302500    3.83891500    1.20364100
 H                 -4.62895700    2.31488600    2.08385200
 H                 -3.17664300    2.84987800    1.22717400
 C                 -2.37244622    7.25968586    7.99246122
 C                 -3.08967725    6.38004991    7.18033244
 C                 -2.42797672    5.31635035    6.57469147
 C                 -1.05725203    5.13015582    6.76884119
 C                 -0.35641009    6.01538659    7.57966331
 C                 -1.00019847    7.09483791    8.20355017
 H                 -2.89309481    8.08425556    8.46913087
 H                 -4.15335706    6.51924250    7.03046752
 H                 -0.54240159    4.29905994    6.30024193
 H                  0.70784228    5.86606854    7.73477101
 C                 -0.21965864    8.04859473    9.06901862
 H                  0.37994859    7.51066875    9.80883436
 H                  0.47501795    8.64202652    8.46554055
 H                 -0.87698144    8.74049980    9.59926421
 S                 -3.31813300    4.19248800    5.48095300
 O                 -2.85443424    2.81538994    5.83373313
 O                 -2.93350000    4.57337300    4.08489800
 O                 -4.77225340    4.40038703    5.74911560

