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

II-1a-Ph

1 2
 C                  3.47800800    0.52454600   -0.73217100
 C                  2.79066900    1.68290000   -1.18644200
 C                  2.39457000    2.85390300   -0.35848600
 H                  2.98364200    2.91935600    0.56787100
 C                  0.88873000    2.86910200   -0.00715400
 C                  0.45301700    1.88546400    1.08418100
 N                  0.57221300    0.48949700    0.71488000
 C                 -0.37311600   -0.36694100    0.39211800
 O                  0.03943600   -1.56624500    0.13474000
 Mg                 1.92207800   -1.02167300    0.43842500
 C                  3.48703200   -0.65451800   -1.54252500
 C                  3.94868500   -1.87362700   -1.04516400
 C                  4.44715300   -1.97104600    0.26732900
 C                  4.49485600   -0.81358000    1.06581800
 C                  4.01950400    0.40737600    0.58587100
 H                  4.03348000    1.27684100    1.24318200
 H                  4.88179800   -0.87248300    2.08416800
 H                  4.79180200   -2.92801600    0.65801800
 H                  3.90474700   -2.76113800   -1.67800200
 H                  3.07550600   -0.60029600   -2.55228100
 H                 -0.56905200    2.13965400    1.39417500
 H                  1.08989800    2.05195000    1.96936900
 H                  0.63949900    3.88168100    0.34534200
 H                  0.29544900    2.69324300   -0.91904000
 H                  2.60564200    3.76770500   -0.93678300
 H                  2.41838800    1.65191100   -2.21424100
 C                 -1.88397000   -0.11543600    0.32045900
 C                 -2.20823300    1.10569600   -0.55370900
 H                 -3.29886400    1.16811200   -0.68545200
 H                 -1.87580700    2.05475000   -0.11573600
 H                 -1.75576000    1.00491800   -1.55218000
 C                 -2.41236500    0.07085900    1.75323700
 H                 -1.98643400    0.95210400    2.25183600
 H                 -3.50564900    0.19282500    1.72389300
 H                 -2.18536200   -0.81479800    2.36572600
 C                 -2.56553400   -1.34131500   -0.29712700
 H                 -2.36690900   -2.24625300    0.29076500
 H                 -3.65169000   -1.17090200   -0.33071200
 H                 -2.20869600   -1.51943500   -1.32143800

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


