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

III (1a-MeOAc)

1 2
 C                 -1.12424400    2.78582400    0.20828500
 H                 -1.01267600    3.84154600   -0.07883300
 H                 -1.50213900    2.77641900    1.24358100
 C                 -2.17530200    2.11659600   -0.70920200
 C                 -2.64850900    0.88802900   -0.03793700
 N                  0.14324100    0.67097800    0.21194900
 C                  1.09109600   -0.18858900    0.08434400
 O                  0.78964000   -1.46891200    0.04280200
 C                  0.24931400    2.11341900    0.14234700
 H                  0.72552800    2.42463700   -0.80070700
 H                  0.85868200    2.52688400    0.96247900
 H                 -3.20079200    0.98640600    0.89785600
 H                 -3.02073700    2.80890800   -0.84069000
 H                 -1.74463500    1.89138800   -1.69545100
 C                 -2.20521000   -0.40792100   -0.41842100
 O                 -1.80604700   -0.78626900   -1.53020300
 O                 -2.18043000   -1.41280000    0.50282200
 C                 -2.19322500   -1.14026000    1.91753400
 H                 -1.44526100   -0.36763600    2.13704900
 H                 -3.19908900   -0.83182000    2.22600800
 H                 -1.93082900   -2.08442000    2.40518000
 C                  2.62432100    0.02463000    0.04529900
 C                  3.22016300   -0.89485400   -1.03203300
 H                  4.31178600   -0.75951300   -1.06729900
 H                  3.00595900   -1.94925500   -0.82022400
 H                  2.81768200   -0.64872500   -2.02761800
 C                  3.11116300    1.44862600   -0.23890600
 H                  2.82956000    2.16173800    0.54451800
 H                  4.21083800    1.43103000   -0.28148000
 H                  2.75071600    1.82323700   -1.20728200
 C                  3.13910000   -0.41391200    1.42708800
 H                  2.73844000    0.23599600    2.22054300
 H                  2.84221400   -1.44995400    1.64147000
 H                  4.23804300   -0.35064600    1.45458600
 Mg                -0.68610700   -2.31739500   -0.73759000

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


