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

ch3oTs-c6h5_6311+Gd

-1 1
 C                  2.73572000    0.97335200   -4.64786800
 C                  2.65243700    1.12037900   -3.26834300
 C                  1.43550800    0.84127800   -2.64404200
 C                  0.31958600    0.42087000   -3.36311900
 C                  0.42775900    0.28150600   -4.74077900
 C                  1.63631800    0.54937800   -5.40230400
 H                  3.67704600    1.19410200   -5.14824700
 H                  3.51350300    1.45147800   -2.69678000
 H                 -0.62175000    0.20780000   -2.86046400
 H                 -0.44148000   -0.03673400   -5.31133100
 C                  1.74257400    0.36778500   -6.89583600
 H                  1.93744400   -0.68745600   -7.13709600
 H                  0.81350000    0.64254300   -7.40093400
 H                  2.56079200    0.95400700   -7.31790900
 S                  1.31889800    1.00132000   -0.87791400
 O                 -0.07487000    1.21289400   -0.47275200
 O                  2.32434600    1.95444300   -0.38262300
 O                  1.76856500   -0.50506100   -0.44708200
 C                  1.77262400   -0.78648100    0.99566800
 H                  2.48760700   -0.14181600    1.50316200
 H                  0.77043100   -0.66267800    1.40252200
 H                  2.08316500   -1.83050800    1.06509800
 C                  1.31390200   -0.81179900    4.33284800
 F                  0.49438700    0.26998300    3.89554300
 F                  0.33066400   -1.62784700    4.99344500
 F                  1.93501000   -0.20439700    5.47942300

