%nprocshared=28
%mem=90GB
# scrf=(smd,solvent=generic,read) nosymm def2tzvp empiricaldispersion=gd3
m062x temperature=298.15

intIII-tBu

0 1
 C                  1.37051400    3.27761700    0.33668100
 C                  0.15313500    2.39156300    0.60158200
 N                  0.53581400    1.03542600    0.26011000
 C                 -0.22308900    0.07028700   -0.18160300
 O                  0.25502300   -1.11549300   -0.30291700
 Mg                 1.70024200   -1.86917000    0.74865400
 C                  2.45413800    1.12735100   -0.10408900
 C                  3.15074400   -0.05035800    0.25974500
 C                  3.44317500   -1.02255200   -0.72492500
 C                  4.03296700   -2.23966700   -0.36459500
 C                  4.75207900   -2.29913800    0.91122900
 C                  4.37760300   -1.44350000    1.89367200
 C                  3.22730700   -0.55462300    1.66838400
 H                  3.03555000    0.18484200    2.44997400
 H                  4.88194700   -1.45003100    2.86529000
 H                  5.55569400   -3.02620800    1.04412500
 H                  4.25540000   -2.97042300   -1.14421900
 H                  3.17346200   -0.83052100   -1.76932600
 C                  2.59014000    2.42534400    0.64662700
 H                  3.51971400    2.92143600    0.32635500
 H                  2.67012900    2.23126000    1.72700700
 H                  2.34541700    1.26148900   -1.18762600
 H                 -0.71494500    2.76462800    0.04430800
 H                 -0.10455300    2.42769200    1.67420400
 H                  1.33089900    4.19813800    0.93440700
 H                  1.39191000    3.56784900   -0.72632400
 C                 -1.70391100    0.24027300   -0.59897300
 C                 -2.27719400   -1.12807400   -0.98595300
 H                 -3.32225800   -1.00261700   -1.30715100
 H                 -1.70818900   -1.58257700   -1.80706200
 H                 -2.25606100   -1.82383500   -0.13566800
 C                 -2.55021400    0.78600400    0.56369500
 H                 -2.32316200    1.82716600    0.82029100
 H                 -3.61443800    0.73888400    0.28630200
 H                 -2.41209900    0.17220200    1.46735800
 C                 -1.78438800    1.15356100   -1.83334600
 H                 -2.83387400    1.24702400   -2.15292300
 H                 -1.39963900    2.16545300   -1.65172300
 H                 -1.21395400    0.71962600   -2.66860700

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


