%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

ch3cn-OTf-ts_6311+Gd_ch2cl2_aq

-1 1
 C	-0.333829000	-0.289577000	 0.169420000
 H	 0.314840000	-1.058577000	-0.212905000
 H	-0.983170000	 0.226211000	-0.516409000
 H	-0.074722000	 0.184113000	 1.101940000
 C	 1.308526000	 1.174784000	-0.728859000
 N	 2.109756000	 1.884901000	-1.196792000
 S	-2.340168000	-1.261727000	 2.067516000
 O	-1.580155000	-0.522436000	 3.074520000
 O	-1.566216000	-1.469554000	 0.762642000
 O	-3.040446000	-2.481341000	 2.457237000
 C	-3.697156000	-0.068921000	 1.524529000
 F	-4.430568000	-0.602457000	 0.541120000
 F	-4.501875000	 0.209865000	 2.557170000
 F	-3.155287000	 1.073901000	 1.081435000




