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

III-tBu-Me2

0 1
 C                  2.78737300    1.15989200   -1.14063400
 C                  2.43643600    2.36401900   -0.23039600
 H                  2.92718700    2.23748400    0.75433200
 C                  0.95766900    2.72659900    0.01993800
 C                  0.25474500    1.94569300    1.14194900
 N                  0.34696800    0.52868000    0.88765500
 C                 -0.53796000   -0.32136300    0.43025500
 O                 -0.05377000   -1.39540700   -0.10280000
 Mg                 1.76342500   -0.48068800   -0.21456000
 H                 -0.77679100    2.31478200    1.24765300
 H                  0.76538600    2.16512100    2.09592300
 H                  0.89394900    3.79693800    0.27592800
 H                  0.37709200    2.59959900   -0.91037200
 H                  2.91930600    3.26236400   -0.67802800
 C                 -2.06232200   -0.14928100    0.43949600
 C                 -2.44580200    0.94051100   -0.57606900
 H                 -3.54260400    1.00615500   -0.64849600
 H                 -2.06754700    1.93233400   -0.29414400
 H                 -2.05494000    0.69455900   -1.57578500
 C                 -2.54219100    0.21833000    1.85040500
 H                 -2.11874800    1.16530900    2.20908600
 H                 -3.63874800    0.31653100    1.85358700
 H                 -2.27026500   -0.56925000    2.56958100
 C                 -2.72498200   -1.46446600    0.02100900
 H                 -2.44070100   -2.28315200    0.69696400
 H                 -3.81931300   -1.34934800    0.04988600
 H                 -2.42694700   -1.75198100   -0.99579300
 C                  4.31162900    1.07072500   -1.20057000
 H                  4.65689500    0.25183800   -1.85365600
 H                  4.75763300    2.00863500   -1.60302800
 H                  4.76445700    0.90932200   -0.20729600
 C                  2.27068100    1.42897700   -2.55557600
 H                  2.65818600    2.39561700   -2.95125800
 H                  2.59280100    0.64559300   -3.26201800
 H                  1.17053700    1.47914400   -2.61945000

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


