%mem=90GB
%nprocshared=24
# scrf=(smd,solvent=generic,read) nosymm def2tzvp
empiricaldispersion=gd3 m062x

III-tBu-Me2

1 2
 C                  2.64880400    1.33742800   -1.06864800
 C                  2.37785000    2.55912800   -0.22492700
 H                  2.99694300    2.51996000    0.68857000
 C                  0.92953100    2.89569100    0.14428400
 C                  0.34604200    2.01463600    1.25441900
 N                  0.50786400    0.61670300    0.93001700
 C                 -0.33807800   -0.24093400    0.40500800
 O                  0.19576600   -1.33212400   -0.03808300
 Mg                 2.02022400   -0.59662200    0.32256500
 H                 -0.69832600    2.29959900    1.44166700
 H                  0.89699700    2.21191500    2.18840600
 H                  0.89226200    3.94186300    0.48313500
 H                  0.28724700    2.83358600   -0.74873300
 H                  2.78851300    3.40851600   -0.80918000
 C                 -1.85583800   -0.07747800    0.28130100
 C                 -2.18420900    1.11393300   -0.63358900
 H                 -3.27162900    1.14764800   -0.79960600
 H                 -1.88392200    2.07904900   -0.20590300
 H                 -1.69912200    1.00014700   -1.61552500
 C                 -2.45538800    0.12109800    1.68208900
 H                 -2.07938200    1.02460600    2.17950700
 H                 -3.54917800    0.20944100    1.60080400
 H                 -2.23064200   -0.74309900    2.32523300
 C                 -2.45250000   -1.34478300   -0.33684800
 H                 -2.21790300   -2.23055000    0.26845500
 H                 -3.54566900   -1.23733300   -0.39607300
 H                 -2.06165800   -1.51514700   -1.34926300
 C                  4.09987200    0.99594700   -1.26126800
 H                  4.24483400    0.01053000   -1.72986500
 H                  4.55780200    1.73777500   -1.94598100
 H                  4.67024500    1.04389300   -0.32112400
 C                  1.71801300    1.03889000   -2.20727800
 H                  1.78945000    1.85576700   -2.95352000
 H                  1.98086800    0.10655000   -2.72810100
 H                  0.66304200    0.99358900   -1.89823000

solventname=dimethoxyethane
eps=7.2
epsinf=1.904


