%mem=20GB
%nprocshared=12
# scrf=(smd,solvent=generic,read) nosymm def2tzvp
empiricaldispersion=gd3 m062x

Reactant 1a (crest geom0)

0 1
 C                 -1.38938600   -3.25292000    0.60864100
 H                 -1.47595800   -3.97646100    1.42974400
 H                 -1.12291600   -3.79603500   -0.31105500
 C                 -2.65133300   -2.42508900    0.38975000
 C                 -2.15324700   -1.21444300   -0.42000100
 C                 -2.96029700    0.04052800   -0.15641600
 C                 -2.76955600    0.78258200    1.01482400
 C                 -3.55368000    1.90452500    1.28008300
 C                 -4.54597800    2.29607500    0.37871700
 C                 -4.74375700    1.55977500   -0.78938200
 C                 -3.95279700    0.44068700   -1.05446100
 H                 -4.10032000   -0.12595900   -1.97730300
 H                 -5.51273200    1.86217900   -1.50296800
 H                 -5.15938500    3.17502200    0.58527800
 H                 -3.38932800    2.47735000    2.19494600
 H                 -1.99175800    0.47997000    1.72110200
 N                 -0.74082800   -1.09548200   -0.02386000
 C                  0.03568300   -0.22135200   -0.73208200
 O                 -0.46287500    0.41267900   -1.64955600
 C                 -0.34568000   -2.17416600    0.88649400
 H                 -0.40177700   -1.84448700    1.93819900
 H                  0.67462700   -2.51705500    0.69021900
 H                 -2.19955000   -1.42534200   -1.50065700
 H                 -3.45691700   -2.95833700   -0.13155600
 H                 -3.04219700   -2.07997900    1.35959500
 C                  1.52445800   -0.02289400   -0.36975400
 C                  1.96687400    1.30259900   -1.00060000
 H                  3.03596500    1.46569900   -0.79884100
 H                  1.80480600    1.29570500   -2.08546400
 H                  1.39962600    2.14693300   -0.58202000
 C                  1.75909600    0.06679700    1.14435700
 H                  1.06717900    0.78658100    1.60908000
 H                  1.65567900   -0.89489700    1.66059500
 H                  2.78398800    0.42369800    1.32791700
 C                  2.35469600   -1.15444700   -0.99781700
 H                  3.42468800   -0.96772300   -0.81749400
 H                  2.11624200   -2.14464300   -0.58596000
 H                  2.19435100   -1.18972500   -2.08592000

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


