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	hartrees
Energy at 0K	-2809.528109
Energy at 298.15K
HF Energy	-2809.183470
Nuclear repulsion energy	166.008810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3042	2925
2	A₁	1225	1178
3	A₁	614	591
4	A₁	310	298
5	E	3131	3011
5	E	3131	3011
6	E	1508	1450
6	E	1508	1450
7	E	618	595
7	E	618	595
8	E	126	121
8	E	126	121

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.196
Mg2	0.000	0.000	-1.109
Br3	0.000	0.000	1.236
H4	0.000	1.023	-3.597
H5	0.886	-0.511	-3.597
H6	-0.886	-0.511	-3.597

	C1	Mg2	Br3	H4	H5	H6
C1		2.0869	4.4318	1.0987	1.0987	1.0987
Mg2	2.0869		2.3449	2.6900	2.6900	2.6900
Br3	4.4318	2.3449		4.9399	4.9399	4.9399
H4	1.0987	2.6900	4.9399		1.7716	1.7716
H5	1.0987	2.6900	4.9399	1.7716		1.7717
H6	1.0987	2.6900	4.9399	1.7716	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.412
Mg2	C1	H5	111.412	Mg2	C1	H6	111.412
H4	C1	H5	107.463	H4	C1	H6	107.463
H5	C1	H6	107.463

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

using model chemistry: MP4=FULL/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=FULL/6-31G*

States and conformations

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