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

ch3OTf-sch2ch3_6311+Gd_ch2cl2_aq

-1 1
 S	 1.311514000	 0.498152000	-0.443644000
 O	 1.705940000	 1.880049000	-0.185893000
 O	 1.352237000	-0.022358000	-1.804973000
 O	 1.965265000	-0.504792000	 0.531654000
 C	 2.380417000	-0.060334000	 2.146871000
 H	 2.627604000	 0.984895000	 2.049715000
 H	 1.461714000	-0.306234000	 2.652611000
 H	 3.202015000	-0.748024000	 2.242878000
 S	 3.020936000	 0.408559000	 4.834776000
 C	 1.780945000	-0.850265000	 5.387622000
 H	 1.638944000	-0.748210000	 6.469229000
 H	 0.808046000	-0.625582000	 4.932457000
 C	 2.169121000	-2.293580000	 5.066916000
 H	 1.403210000	-2.999358000	 5.417336000
 H	 2.292126000	-2.442976000	 3.989746000
 H	 3.116946000	-2.559312000	 5.545750000
 C	-0.502747000	 0.403487000	 0.069952000
 F	-1.238124000	 1.194400000	-0.719629000
 F	-0.954972000	-0.850246000	-0.034650000
 F	-0.645385000	 0.807622000	 1.338115000




