%mem=3000MB
%nprocshared=12
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq b3lyp/6-311+G(d) scrf=(smd,solvent=water) empiricaldispersion=gd3 nosymm

ch3cooh-oTs-ts_6311+Gd_aq_new

-1 1
 C	 1.452357000	 0.578973000	 0.795794000
 H	 0.665016000	 0.072982000	 0.266314000
 H	 1.648770000	 1.616719000	 0.592646000
 H	 1.925467000	 0.106018000	 1.638427000
 C	 0.227512000	-3.272109000	-2.336133000
 C	 1.397056000	-2.557031000	-2.101542000
 C	 1.825563000	-2.372657000	-0.786746000
 C	 1.097779000	-2.884644000	 0.285299000
 C	-0.071384000	-3.596792000	 0.030614000
 C	-0.523444000	-3.803507000	-1.278016000
 H	-0.107839000	-3.419734000	-3.357811000
 H	 1.966131000	-2.152535000	-2.930253000
 H	 1.431664000	-2.728554000	 1.303323000
 H	-0.641171000	-3.993584000	 0.864555000
 C	-1.770030000	-4.602498000	-1.548119000
 H	-2.454294000	-4.578077000	-0.697386000
 H	-2.298451000	-4.233072000	-2.430052000
 H	-1.518920000	-5.652087000	-1.736632000
 S	 3.283304000	-1.379901000	-0.470213000
 O	 3.803562000	-1.765447000	 0.861556000
 O	 2.795099000	 0.083807000	-0.463741000
 O	 4.219740000	-1.559479000	-1.601535000
 O	-0.003609000	 1.315556000	 2.116382000
 O	-0.625163000	-0.806619000	 2.574027000
 C	-0.711566000	 0.430687000	 2.699592000
 H	-1.480394000	 0.837218000	 3.387271000




