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	hartrees
Energy at 0K	-2812.116868
Energy at 298.15K
HF Energy	-2811.691082
Nuclear repulsion energy	165.407779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3013	2844
2	A₁	1166	1100
3	A₁	604	570
4	A₁	300	283
5	E	3096	2922
5	E	3096	2922
6	E	1462	1380
6	E	1462	1380
7	E	574	541
7	E	573	541
8	E	101	96
8	E	101	95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.202
Mg2	0.000	0.000	-1.118
Br3	0.000	0.000	1.241
H4	0.000	1.018	-3.605
H5	0.882	-0.509	-3.605
H6	-0.882	-0.509	-3.605

	C1	Mg2	Br3	H4	H5	H6
C1		2.0835	4.4430	1.0951	1.0951	1.0951
Mg2	2.0835		2.3594	2.6868	2.6868	2.6868
Br3	4.4430	2.3594		4.9516	4.9516	4.9516
H4	1.0951	2.6868	4.9516		1.7637	1.7637
H5	1.0951	2.6868	4.9516	1.7637		1.7637
H6	1.0951	2.6868	4.9516	1.7637	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.580
Mg2	C1	H5	111.580	Mg2	C1	H6	111.580
H4	C1	H5	107.282	H4	C1	H6	107.282
H5	C1	H6	107.282

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

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

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