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

III' (1a-MeOAc)

0 1
 C                 -0.63508000    2.47299400    0.41886900
 H                 -0.49740500    3.56667600    0.36946200
 H                 -0.24863900    2.15518500    1.40237000
 C                 -2.14614400    2.15852000    0.35294000
 C                 -2.44407000    0.76844000    0.84519900
 N                  0.31794400    0.44565900   -0.78761700
 C                  1.24049300   -0.40058200   -0.41322200
 O                  0.97519800   -1.65028100   -0.65043300
 C                  0.26079900    1.89026500   -0.69019900
 H                 -0.12939800    2.26117200   -1.65348200
 H                  1.26197900    2.33348000   -0.57789100
 H                 -2.32703500    0.56362900    1.90950800
 H                 -2.67630400    2.91477600    0.95452900
 H                 -2.49939700    2.27196200   -0.68375600
 C                 -2.50378500   -0.25456400   -0.03226000
 O                 -2.57106600   -0.23154000   -1.32329200
 O                 -2.19281400   -1.58360400    0.35213800
 C                 -1.86977000   -1.87220600    1.69925100
 H                 -1.00928200   -1.27529100    2.03963800
 H                 -2.73265400   -1.67442500    2.35187900
 H                 -1.61873300   -2.93856400    1.74341300
 C                  2.59395000   -0.08031900    0.23700600
 C                  3.48306700    0.61543900   -0.80715200
 H                  4.47619500    0.81143400   -0.37399600
 H                  3.61802400   -0.02686500   -1.69070600
 H                  3.06495500    1.57438200   -1.14219800
 C                  2.41395800    0.80881400    1.47617500
 H                  1.71164500    0.35197800    2.19048600
 H                  3.38418700    0.92227700    1.98400500
 H                  2.04958200    1.81409700    1.23099100
 C                  3.27126800   -1.38384800    0.66928100
 H                  2.66133900   -1.91945000    1.41058900
 H                  3.42205200   -2.05429800   -0.18648200
 H                  4.24936700   -1.15587600    1.11960200
 Mg                -0.83873000   -1.18585000   -1.37060600

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


