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	hartrees
Energy at 0K	-2809.489414
Energy at 298.15K
HF Energy	-2809.183451
Nuclear repulsion energy	165.669981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3041	2904
2	A₁	1225	1170
3	A₁	610	583
4	A₁	307	293
5	E	3129	2988
5	E	3129	2987
6	E	1508	1440
6	E	1508	1440
7	E	616	588
7	E	616	588
8	E	125	120
8	E	125	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.201
Mg2	0.000	0.000	-1.112
Br3	0.000	0.000	1.239
H4	0.000	1.023	-3.604
H5	0.886	-0.511	-3.604
H6	-0.886	-0.511	-3.604

	C1	Mg2	Br3	H4	H5	H6
C1		2.0898	4.4404	1.0990	1.0990	1.0990
Mg2	2.0898		2.3506	2.6938	2.6938	2.6938
Br3	4.4404	2.3506		4.9496	4.9496	4.9496
H4	1.0990	2.6938	4.9496		1.7714	1.7714
H5	1.0990	2.6938	4.9496	1.7714		1.7714
H6	1.0990	2.6938	4.9496	1.7714	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.476
Mg2	C1	H5	111.476	Mg2	C1	H6	111.476
H4	C1	H5	107.394	H4	C1	H6	107.394
H5	C1	H6	107.394

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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