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

TS bond cleavage (from ts-cleavage-f.out)

1 2
 C                  1.60302600    3.42948100    0.08580000
 C                  0.42660700    2.49070100    0.35552200
 N                  0.74654500    1.22655600   -0.27430500
 C                 -0.02612500    0.21328600   -0.49129400
 O                  0.46138900   -0.88844300   -0.96803100
 Mg                 2.04773200   -1.87169600   -0.79444500
 C                  2.67806000    1.45243300   -0.86652000
 C                  3.39250900    0.22792700   -0.83176200
 C                  3.62635100   -0.51613300   -2.04865900
 C                  4.13132900   -1.80879600   -2.03237500
 C                  4.41327300   -2.47438900   -0.80190800
 C                  4.21161900   -1.75441300    0.40487200
 C                  3.71139700   -0.45507600    0.40388900
 H                  3.53712000    0.04682200    1.35671400
 H                  4.42336900   -2.24020100    1.35937400
 H                  4.80425500   -3.49003100   -0.79100800
 H                  4.29204100   -2.33131000   -2.97709900
 H                  3.38505400   -0.04476600   -3.00337800
 C                  2.86201500    2.57389300    0.11375200
 H                  3.74476200    3.16172500   -0.18510500
 H                  3.04987200    2.18670600    1.12716300
 H                  2.43375600    1.79253700   -1.87926600
 H                 -0.51230700    2.92886000   -0.01268300
 H                  0.32078000    2.34356700    1.44278000
 H                  1.63410200    4.24284000    0.82242100
 H                  1.49782400    3.88448600   -0.91172100
 C                 -1.55787200    0.21045700   -0.27503000
 C                 -2.08910100   -1.22106100   -0.41306400
 H                 -3.18216300   -1.21012400   -0.29145000
 H                 -1.84998000   -1.64635200   -1.39562800
 H                 -1.66514600   -1.88022600    0.35901800
 C                 -1.95047500    0.72723900    1.11864600
 H                 -1.85737600    1.81437600    1.21889800
 H                 -3.00480600    0.47357000    1.30384800
 H                 -1.34892000    0.25020000    1.90803800
 C                 -2.19201200    1.07593000   -1.37640500
 H                 -3.28628300    1.07661400   -1.25794900
 H                 -1.84684000    2.11831200   -1.33972900
 H                 -1.95614700    0.67059600   -2.37180200

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


