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	hartrees
Energy at 0K	-2809.520440
Energy at 298.15K
HF Energy	-2809.201148
Nuclear repulsion energy	165.469008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3110	2894	32.55
2	A₁	1214	1130	0.85
3	A₁	614	572	76.69
4	A₁	303	282	16.29
5	E	3204	2981	14.59
5	E	3204	2981	14.59
6	E	1501	1396	0.09
6	E	1501	1396	0.09
7	E	613	571	80.89
7	E	613	571	80.89
8	E	159	148	28.47
8	E	159	148	28.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.202
Mg2	0.000	0.000	-1.119
Br3	0.000	0.000	1.241
H4	0.000	1.017	-3.597
H5	0.881	-0.509	-3.597
H6	-0.881	-0.509	-3.597

	C1	Mg2	Br3	H4	H5	H6
C1		2.0835	4.4432	1.0909	1.0909	1.0909
Mg2	2.0835		2.3597	2.6786	2.6786	2.6786
Br3	4.4432	2.3597		4.9434	4.9434	4.9434
H4	1.0909	2.6786	4.9434		1.7618	1.7618
H5	1.0909	2.6786	4.9434	1.7618		1.7618
H6	1.0909	2.6786	4.9434	1.7618	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.194
Mg2	C1	H5	111.194	Mg2	C1	H6	111.194
H4	C1	H5	107.695	H4	C1	H6	107.695
H5	C1	H6	107.695

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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