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

intI-tBu

2 1
 C                  1.12928100    3.55644800   -0.30503900
 C                  0.06824400    2.58108700    0.18615400
 N                  0.55784300    1.28209400   -0.32569800
 C                 -0.13931800    0.20278400   -0.64355400
 O                  0.46506500   -0.76661100   -1.19868900
 Mg                 2.00418200   -1.87941900   -1.20546400
 C                  2.01346000    1.34496800   -0.60833300
 C                  2.79412700    0.25032400    0.08922300
 C                  3.82560400   -0.42718000   -0.59479500
 C                  4.58219900   -1.41970400    0.05707600
 C                  4.30161300   -1.74398600    1.38407400
 C                  3.28324600   -1.06882900    2.06341600
 C                  2.53589700   -0.07902000    1.42775400
 H                  1.74307200    0.44235300    1.96986600
 H                  3.07209100   -1.31572900    3.10505000
 H                  4.88397800   -2.51299800    1.89296500
 H                  5.39055300   -1.92061700   -0.47777500
 H                  4.07953700   -0.13000800   -1.61885800
 C                  2.41346200    2.75309200   -0.14104200
 H                  3.26304400    3.13621400   -0.71839900
 H                  2.70252900    2.71707400    0.91984900
 H                  2.15378500    1.25263400   -1.69739400
 H                 -0.93087400    2.80220000   -0.19702600
 H                  0.03631800    2.54930600    1.28553400
 H                  1.12651100    4.48860000    0.27215000
 H                  0.95426900    3.79689300   -1.36391600
 C                 -1.64366700    0.06251200   -0.39298500
 C                 -2.02897100    0.49843800    1.03026700
 H                 -2.01102700    1.58327200    1.17933600
 H                 -3.05697500    0.16296100    1.22598800
 H                 -1.37574700    0.02779500    1.78106800
 C                 -2.02128400   -1.41596000   -0.55491000
 H                 -3.10280200   -1.51910500   -0.39226700
 H                 -1.78623800   -1.78625100   -1.56080900
 H                 -1.50383900   -2.04621600    0.18373600
 C                 -2.40020500    0.87239200   -1.46202200
 H                 -3.47960600    0.72786600   -1.30988700
 H                 -2.19581000    1.94968500   -1.41538900
 H                 -2.14491700    0.51506600   -2.47020000

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


