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	hartrees
Energy at 0K	-2812.286830
Energy at 298.15K
HF Energy	-2811.786275
Nuclear repulsion energy	165.641086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3006	2906
2	A₁	1160	1121
3	A₁	606	586
4	A₁	301	291
5	E	3086	2984
5	E	3086	2984
6	E	1459	1410
6	E	1458	1410
7	E	574	555
7	E	573	554
8	E	103	100
8	E	102	99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.199
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.239
H4	0.000	1.019	-3.601
H5	0.883	-0.510	-3.601
H6	-0.883	-0.510	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0847	4.4388	1.0953	1.0953	1.0953
Mg2	2.0847		2.3541	2.6869	2.6869	2.6869
Br3	4.4388	2.3541		4.9464	4.9464	4.9464
H4	1.0953	2.6869	4.9464		1.7651	1.7651
H5	1.0953	2.6869	4.9464	1.7651		1.7651
H6	1.0953	2.6869	4.9464	1.7651	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.501
Mg2	C1	H5	111.501	Mg2	C1	H6	111.501
H4	C1	H5	107.367	H4	C1	H6	107.367
H5	C1	H6	107.367

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

using model chemistry: QCISD(T)/aug-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: QCISD(T)/aug-cc-pVTZ

States and conformations

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