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	hartrees
Energy at 0K	-2812.025129
Energy at 298.15K
HF Energy	-2811.688086
Nuclear repulsion energy	164.970566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3035	2875	24.93
2	A₁	1171	1109	3.97
3	A₁	605	573	73.88
4	A₁	304	288	12.96
5	E	3123	2958	16.69
5	E	3123	2958	16.69
6	E	1451	1375	0.09
6	E	1451	1375	0.09
7	E	579	548	83.73
7	E	579	548	83.73
8	E	104	99	28.00
8	E	104	99	28.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.211
Mg2	0.000	0.000	-1.118
Br3	0.000	0.000	1.244
H4	0.000	1.030	-3.619
H5	0.892	-0.515	-3.619
H6	-0.892	-0.515	-3.619

	C1	Mg2	Br3	H4	H5	H6
C1		2.0936	4.4550	1.1079	1.1079	1.1079
Mg2	2.0936		2.3614	2.7055	2.7055	2.7055
Br3	4.4550	2.3614		4.9710	4.9710	4.9710
H4	1.1079	2.7055	4.9710		1.7839	1.7839
H5	1.1079	2.7055	4.9710	1.7839		1.7839
H6	1.1079	2.7055	4.9710	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.618
Mg2	C1	H5	111.618	Mg2	C1	H6	111.618
H4	C1	H5	107.242	H4	C1	H6	107.242
H5	C1	H6	107.242

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

using model chemistry: CCSD/cc-pVDZ

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: CCSD/cc-pVDZ

States and conformations

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