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	hartrees
Energy at 0K	-2812.273814
Energy at 298.15K
HF Energy	-2811.785565
Nuclear repulsion energy	165.853207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3015	2939
2	A₁	1163	1134
3	A₁	611	596
4	A₁	305	297
5	E	3095	3017
5	E	3094	3016
6	E	1456	1420
6	E	1456	1419
7	E	573	559
7	E	573	558
8	E	100	98
8	E	100	97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.195
Mg2	0.000	0.000	-1.113
Br3	0.000	0.000	1.238
H4	0.000	1.017	-3.598
H5	0.881	-0.509	-3.598
H6	-0.881	-0.509	-3.598

	C1	Mg2	Br3	H4	H5	H6
C1		2.0820	4.4329	1.0942	1.0942	1.0942
Mg2	2.0820		2.3509	2.6851	2.6851	2.6851
Br3	4.4329	2.3509		4.9416	4.9416	4.9416
H4	1.0942	2.6851	4.9416		1.7621	1.7621
H5	1.0942	2.6851	4.9416	1.7621		1.7621
H6	1.0942	2.6851	4.9416	1.7621	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.604
Mg2	C1	H5	111.604	Mg2	C1	H6	111.604
H4	C1	H5	107.256	H4	C1	H6	107.256
H5	C1	H6	107.256

All results from a given calculation for CH₃MgBr (Methyl Magnesium Bromide)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3MgBr (Methyl Magnesium Bromide)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃MgBr (Methyl Magnesium Bromide)