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	hartrees
Energy at 0K	-2798.162996
Energy at 298.15K
HF Energy	-2797.996926
Nuclear repulsion energy	162.160910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3000	2909
2	A₁	1285	1246
3	A₁	605	587
4	A₁	292	283
5	E	3075	2982
5	E	3075	2982
6	E	1542	1495
6	E	1542	1495
7	E	669	649
7	E	669	649
8	E	91	89
8	E	91	88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.265
Mg2	0.000	0.000	-1.147
Br3	0.000	0.000	1.267
H4	0.000	1.028	-3.662
H5	0.890	-0.514	-3.662
H6	-0.890	-0.514	-3.662

	C1	Mg2	Br3	H4	H5	H6
C1		2.1177	4.5318	1.1019	1.1019	1.1019
Mg2	2.1177		2.4141	2.7168	2.7168	2.7168
Br3	4.5318	2.4141		5.0350	5.0350	5.0350
H4	1.1019	2.7168	5.0350		1.7802	1.7802
H5	1.1019	2.7168	5.0350	1.7802		1.7802
H6	1.1019	2.7168	5.0350	1.7802	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.131
Mg2	C1	H5	111.131	Mg2	C1	H6	111.131
H4	C1	H5	107.762	H4	C1	H6	107.762
H5	C1	H6	107.762

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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