%nprocshared=12
%mem=20GB
#p scrf=(smd,solvent=generic,read) nosymm def2tzvp empiricaldispersion=gd3 m062x temperature=298.15

Title: Created by Jmol version 16.1.45 2023-11-05 21:31

1 2
 C                  0.19928500   -2.87023600    0.57336900
 C                 -0.57402400   -1.88579100   -0.29234700
 N                 -0.15040800   -0.58475700    0.25690800
 C                 -0.85822900    0.53526300    0.45148100
 O                 -0.33606500    1.46938100    1.10145900
 C                  1.20969900   -0.69592700    0.82697800
 C                  2.13158600    0.23485000    0.04353800
 O                  2.35831600    1.39213600    0.38083500
 O                  2.62277200   -0.27820300   -1.04283800
 C                  3.44429800    0.56051300   -1.87411600
 H                  4.30518300    0.92146100   -1.29878500
 H                  3.76909800   -0.07270600   -2.70363100
 H                  2.85324100    1.40896700   -2.24046300
 H                  1.19322700   -0.34109000    1.86831200
 C                  1.55800500   -2.18878800    0.72854400
 H                  2.11819700   -2.52000200    1.61044500
 H                  2.17078400   -2.37272400   -0.16227700
 H                 -1.65559500   -2.01061300   -0.21938400
 H                 -0.27425300   -1.95376100   -1.34950100
 H                  0.27207200   -3.86163900    0.11055900
 H                 -0.30039600   -2.97208300    1.54787600
 C                 -2.28323500    0.71345300   -0.08611100
 C                 -3.26042600   -0.07012700    0.80950900
 H                 -4.28496400    0.10874500    0.45196900
 H                 -3.08730100   -1.15451000    0.80176400
 H                 -3.19564900    0.28117800    1.84970200
 C                 -2.39264400    0.29155200   -1.56051000
 H                 -2.35179900   -0.79259300   -1.71439500
 H                 -3.36071600    0.63902500   -1.94859200
 H                 -1.60114800    0.76127300   -2.16431400
 C                 -2.63568100    2.20367000    0.00822400
 H                 -2.58494900    2.56501700    1.04306300
 H                 -1.95679100    2.81383200   -0.60548600
 H                 -3.65979200    2.34667000   -0.36322900
 Mg                 1.21945500    2.60505400    1.65358100

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


