%mem=40000MB
%nprocshared=20
#p opt freq b3lyp/6-311+G(d) scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3oTs-nh2_6311+Gd_ch2cl2

-1 1
 C	 2.776058000	 0.793202000	-4.567064000
 C	 2.641618000	 1.102654000	-3.218194000
 C	 1.389647000	 0.954202000	-2.622760000
 C	 0.281373000	 0.503396000	-3.339845000
 C	 0.441157000	 0.200139000	-4.686606000
 C	 1.685362000	 0.335621000	-5.318832000
 H	 3.743403000	 0.912987000	-5.043230000
 H	 3.490348000	 1.459415000	-2.647548000
 H	-0.685504000	 0.399386000	-2.862772000
 H	-0.415474000	-0.143577000	-5.256755000
 C	 1.848342000	-0.024918000	-6.769644000
 H	 2.056032000	-1.095644000	-6.872866000
 H	 0.939536000	 0.185270000	-7.337813000
 H	 2.679852000	 0.515268000	-7.226557000
 S	 1.206778000	 1.325599000	-0.899945000
 O	-0.185282000	 1.670185000	-0.589246000
 O	 2.247258000	 2.262047000	-0.460053000
 O	 1.530278000	-0.143051000	-0.279061000
 C	 1.468760000	-0.264476000	 1.181531000
 H	 2.203141000	 0.394467000	 1.642087000
 H	 0.461557000	-0.042316000	 1.531333000
 H	 1.716111000	-1.304020000	 1.374105000
 N	 1.501746000	-0.788431000	 4.601691000
 H	 0.734787000	-0.481309000	 3.994868000
 H	 2.293166000	-0.864319000	 3.954686000




