%mem=20000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=2) freq=noraman b3lyp/6-311+g(d)
scrf=(smd,solvent=water) nosymm scf=qc empiricaldispersion=gd3
int=ultrafinegrid

ch3nhcho-och2ch3-ts_6311+Gd

-1 1
 C                  0.54612500   -0.32071200    0.15095500
 H                  0.71384600   -0.38617800   -0.91013200
 H                  1.01494300    0.46224700    0.71962100
 H                 -0.11906300   -1.01157500    0.63614300
 N                 -1.00913000    0.88461200   -0.22760500
 H                 -1.34651900    1.03779600   -1.17391200
 C                 -1.82516600    1.33961100    0.69190000
 O                 -1.65129800    1.23484400    1.94548800
 H                 -2.73840100    1.86077700    0.34334600
 O                  2.01672600   -1.52118800    0.49571300
 C                  3.18282100   -0.89990300    0.01970600
 H                  3.37850400    0.07085700    0.51285000
 H                  3.14230100   -0.69801300   -1.06741500
 C                  4.42310865   -1.77986365    0.26251415
 H                  5.29305840   -1.28074148   -0.11026526
 H                  4.53532989   -1.95633221    1.31187835
 H                  4.30269559   -2.71391828   -0.24536639

