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

TS anion cleav tBu-Me2

0 1
 C                  1.42059700    3.37194600   -0.56386600
 C                  0.15660900    2.56487800   -0.81972700
 N                  0.56303000    1.20845400   -1.13880200
 C                 -0.17516400    0.11860700   -0.96626900
 O                  0.23077700   -0.92728400   -1.58642700
 Mg                 1.12261600    0.14627000   -3.10966000
 C                  2.57566900    1.20206800   -0.31778200
 C                  2.27887600    2.50921000    0.35897200
 H                  3.22458600    3.02105600    0.60621600
 H                  1.73953900    2.33335400    1.30342000
 H                 -0.41486600    2.98891900   -1.66429800
 H                 -0.47951800    2.61916700    0.07480800
 H                  1.18992000    4.34949800   -0.11778900
 H                  1.95149500    3.55240000   -1.51359000
 C                 -1.51682700    0.03491200   -0.21277500
 C                 -2.05124800   -1.39713800   -0.32924100
 H                 -2.98545700   -1.48389800    0.24632600
 H                 -2.25828800   -1.65952600   -1.37563300
 H                 -1.32638400   -2.12425400    0.06031800
 C                 -1.32519300    0.34881100    1.27924100
 H                 -0.89063100    1.34025600    1.46360600
 H                 -2.30083700    0.31228800    1.78900100
 H                 -0.67268200   -0.40190200    1.75021700
 C                 -2.55271700    0.97855400   -0.85029700
 H                 -3.55344100    0.73651900   -0.46036900
 H                 -2.36173900    2.03700700   -0.63561200
 H                 -2.58015700    0.84797100   -1.94428100
 C                  2.48158700   -0.06685600    0.45963000
 H                  1.62182300   -0.05964000    1.14493400
 H                  2.38462800   -0.93167400   -0.21618100
 H                  3.39863500   -0.21255200    1.05790900
 C                  3.49709000    1.21508400   -1.45000000
 H                  4.28996100    0.45900000   -1.36665200
 H                  2.97612600    0.92839900   -2.44810000
 H                  3.93165200    2.20220600   -1.65713600

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


