%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-nh2-ts_6311+Gd_ch2cl2_aq

-1 1
 C	-0.317674000	-0.752963000	-0.035856000
 H	-0.056622000	-0.890023000	 1.000666000
 H	-0.730663000	 0.213288000	-0.279450000
 H	 0.402725000	-1.139623000	-0.739316000
 N	 1.751980000	 0.817409000	 0.350726000
 H	 2.011204000	 1.112104000	-0.597566000
 H	 1.332776000	 1.660150000	 0.759929000
 S	-2.388620000	-1.953841000	-1.440431000
 O	-1.573284000	-1.787567000	-0.124248000
 O	-1.636888000	-1.544335000	-2.619791000
 O	-3.092405000	-3.227163000	-1.419795000
 C	-3.726747000	-0.639606000	-1.213197000
 F	-4.447507000	-0.892490000	-0.118401000
 F	-3.169904000	 0.570527000	-1.095705000
 F	-4.536855000	-0.642153000	-2.276599000




