%mem=20000MB
%nprocshared=20
#p opt=maxstep=3 freq=noraman b3lyp/6-311+g(d)
scrf=(smd,solvent=dichloromethane) nosymm empiricaldispersion=gd3

ch3nhcho-Ts_6311+Gd_ch2cl2_1

-1 1
 N                 -0.74244000    0.09677700    0.28405000
 H                 -0.87146000    0.25345300   -0.70544900
 C                 -0.11410500    1.05086200    0.99034400
 O                  0.08965100    1.02011900    2.20215300
 H                  0.22211100    1.89579000    0.36438700
 C                 -1.29688900   -1.11390000    0.87777800
 H                 -1.61729900   -1.78350900    0.08320900
 H                 -0.54661900   -1.62037000    1.48781300
 H                 -2.15769600   -0.88688500    1.51164100
 C                 -4.40699100   -8.12717000    1.52916000
 C                 -3.66492100   -6.94354700    1.53381800
 C                 -4.23233800   -5.77096200    1.04567800
 C                 -5.53874300   -5.78116000    0.55067100
 C                 -6.26806000   -6.96528400    0.54967500
 C                 -5.71494700   -8.15950300    1.03717200
 H                 -3.95702400   -9.03694700    1.91642500
 H                 -2.65317500   -6.92881700    1.92182500
 H                 -5.98439700   -4.86640800    0.17462100
 H                 -7.28486000   -6.96516300    0.16606000
 C                 -6.52157800   -9.43350000    1.02467800
 H                 -7.45336200   -9.31796900    1.58785700
 H                 -6.79926300   -9.71512700    0.00347100
 H                 -5.96670100  -10.26671000    1.46192800
 S                 -3.27354900   -4.22999700    0.99554700
 O                 -4.17331300   -3.18846200    1.56740400
 O                 -2.96860200   -4.00106500   -0.44907200
 O                 -2.05788000   -4.48466300    1.81725000

