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	hartrees
Energy at 0K	-2798.138541
Energy at 298.15K
HF Energy	-2797.997203
Nuclear repulsion energy	162.512957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3060	2921	13.76	99.21	0.00	0.00
2	A₁	1301	1242	0.95	51.16	0.04	0.09
3	A₁	614	586	44.46	14.87	0.05	0.09
4	A₁	295	282	10.44	20.63	0.21	0.35
5	E	3138	2995	14.49	120.07	0.75	0.86
5	E	3138	2995	14.49	120.07	0.75	0.86
6	E	1563	1492	0.01	7.58	0.75	0.86
6	E	1563	1492	0.01	7.58	0.75	0.86
7	E	675	644	114.92	5.22	0.75	0.86
7	E	675	644	114.92	5.22	0.75	0.86
8	E	93	89	26.06	0.01	0.75	0.86
8	E	93	89	26.06	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.257
Mg2	0.000	0.000	-1.146
Br3	0.000	0.000	1.264
H4	0.000	1.024	-3.651
H5	0.887	-0.512	-3.651
H6	-0.887	-0.512	-3.651

	C1	Mg2	Br3	H4	H5	H6
C1		2.1103	4.5209	1.0975	1.0975	1.0975
Mg2	2.1103		2.4106	2.7060	2.7060	2.7060
Br3	4.5209	2.4106		5.0209	5.0209	5.0209
H4	1.0975	2.7060	5.0209		1.7739	1.7739
H5	1.0975	2.7060	5.0209	1.7739		1.7739
H6	1.0975	2.7060	5.0209	1.7739	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.064
Mg2	C1	H5	111.064	Mg2	C1	H6	111.064
H4	C1	H5	107.832	H4	C1	H6	107.832
H5	C1	H6	107.832

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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