%nprocshared=40
%mem=150GB
# scrf=(smd,solvent=acetonitrile) nosymm def2tzvp empiricaldispersion=gd3 m062x

I 1a-MeOAc

2 1
 C                  0.16517300   -2.83697800    0.56493100
 C                 -0.56486300   -1.85688300   -0.33904900
 N                 -0.15416400   -0.55091000    0.21747100
 C                 -0.86073700    0.56441600    0.38262400
 O                 -0.30730300    1.53921000    0.96500600
 C                  1.20001300   -0.66935100    0.81050600
 C                  2.16622200    0.21953900    0.03241400
 O                  2.39451200    1.39464300    0.34745400
 O                  2.70992400   -0.32276800   -0.99737400
 C                  3.59159400    0.46871500   -1.82427400
 H                  4.41624700    0.85277500   -1.21321200
 H                  3.95887500   -0.21391400   -2.59410900
 H                  3.02406600    1.29384800   -2.27143100
 H                  1.16603100   -0.29149900    1.84258900
 C                  1.52701700   -2.17062600    0.75369900
 H                  2.05197000   -2.49002800    1.66087500
 H                  2.16742000   -2.38321900   -0.11071800
 H                 -1.64840500   -1.97465600   -0.32090000
 H                 -0.21027600   -1.92418300   -1.37887700
 H                  0.24255400   -3.83394800    0.11564300
 H                 -0.36853300   -2.92122200    1.52275200
 C                 -2.31379500    0.71861400   -0.07398400
 C                 -3.22260800   -0.14326300    0.82330400
 H                 -4.26864200    0.06927100    0.56045100
 H                 -3.06479400   -1.22249700    0.70752400
 H                 -3.07824800    0.11681100    1.88220600
 C                 -2.46785800    0.37014700   -1.56358500
 H                 -2.29108800   -0.68709500   -1.79164800
 H                 -3.49865200    0.60487700   -1.86466000
 H                 -1.79055600    0.97985900   -2.17992300
 C                 -2.72227500    2.18473000    0.11761700
 H                 -2.65858900    2.48631700    1.17135700
 H                 -2.09593100    2.86014400   -0.48229800
 H                 -3.76326700    2.30051600   -0.21281700
 Mg                 1.19011700    2.69509600    1.23257300

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


