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

intIII-tBu

1 2
 C                  1.55884600    3.41942500    0.05237100
 C                  0.38219800    2.51800000    0.40703000
 N                  0.76904000    1.22649300   -0.18937000
 C                 -0.01199200    0.24788300   -0.63233500
 O                  0.52327100   -0.69414000   -1.27564200
 Mg                 1.37766100   -2.46579600   -1.19000300
 C                  2.23245700    1.16170500   -0.42538500
 C                  2.87977400   -0.07026700    0.16939100
 C                  3.95248000   -0.68014300   -0.49079900
 C                  4.58533900   -1.79764500    0.06342800
 C                  4.13706200   -2.32637000    1.27386000
 C                  3.06142900   -1.72641900    1.93403000
 C                  2.44348800   -0.59910600    1.39058100
 H                  1.60729500   -0.13034400    1.91649000
 H                  2.70702600   -2.13283400    2.88297800
 H                  4.62364100   -3.20344500    1.70355600
 H                  5.42498200   -2.25897900   -0.45939600
 H                  4.29675700   -0.27564500   -1.44617400
 C                  2.74607000    2.47356200    0.18795700
 H                  3.65741100    2.81910700   -0.31536600
 H                  2.97912700    2.31080600    1.25123300
 H                  2.39975800    1.15485400   -1.51401800
 H                 -0.56726200    2.86968000   -0.00504300
 H                  0.28197500    2.40991500    1.49774200
 H                  1.61936300    4.29318300    0.71261500
 H                  1.46084600    3.76922900   -0.98607000
 C                 -1.53069100    0.21779100   -0.41219700
 C                 -2.00617500   -1.22616700   -0.62624400
 H                 -3.09560800   -1.26577900   -0.48839400
 H                 -1.77290900   -1.58536400   -1.63743900
 H                 -1.54600100   -1.91086100    0.10492000
 C                 -1.93430100    0.64528500    1.00807500
 H                 -1.89311100    1.72877200    1.16500700
 H                 -2.97454800    0.33493100    1.18074300
 H                 -1.30930400    0.15317300    1.76923100
 C                 -2.19118000    1.11626000   -1.47318500
 H                 -3.28353900    1.06033800   -1.35734000
 H                 -1.89491700    2.17005200   -1.37698700
 H                 -1.93472500    0.77518500   -2.48688100

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


