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	hartrees
Energy at 0K	-2809.192982
Energy at 298.15K
HF Energy	-2809.040319
Nuclear repulsion energy	163.190777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3040	2843	31.88
2	A₁	1293	1209	0.47
3	A₁	613	573	41.84
4	A₁	298	279	12.93
5	E	3125	2923	21.29
5	E	3125	2923	21.29
6	E	1527	1428	0.35
6	E	1527	1428	0.35
7	E	667	623	109.56
7	E	667	623	109.56
8	E	132	123	30.72
8	E	132	123	30.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.236
Mg2	0.000	0.000	-1.144
Br3	0.000	0.000	1.258
H4	0.000	1.027	-3.633
H5	0.890	-0.514	-3.633
H6	-0.890	-0.514	-3.633

	C1	Mg2	Br3	H4	H5	H6
C1		2.0925	4.4946	1.1012	1.1012	1.1012
Mg2	2.0925		2.4021	2.6928	2.6928	2.6928
Br3	4.4946	2.4021		4.9980	4.9980	4.9980
H4	1.1012	2.6928	4.9980		1.7792	1.7792
H5	1.1012	2.6928	4.9980	1.7792		1.7792
H6	1.1012	2.6928	4.9980	1.7792	1.7792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.115
Mg2	C1	H5	111.115	Mg2	C1	H6	111.115
H4	C1	H5	107.779	H4	C1	H6	107.779
H5	C1	H6	107.779

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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