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	hartrees
Energy at 0K	-2809.508883
Energy at 298.15K
HF Energy	-2809.189122
Nuclear repulsion energy	165.833271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2883	20.60
2	A₁	1229	1146	8.02
3	A₁	611	570	66.04
4	A₁	308	287	13.29
5	E	3180	2966	18.04
5	E	3180	2966	18.04
6	E	1518	1415	0.38
6	E	1518	1415	0.38
7	E	614	572	88.53
7	E	614	572	88.53
8	E	127	119	26.72
8	E	127	119	26.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.200
Mg2	0.000	0.000	-1.111
Br3	0.000	0.000	1.238
H4	0.000	1.016	-3.600
H5	0.880	-0.508	-3.600
H6	-0.880	-0.508	-3.600

	C1	Mg2	Br3	H4	H5	H6
C1		2.0896	4.4386	1.0921	1.0921	1.0921
Mg2	2.0896		2.3490	2.6889	2.6889	2.6889
Br3	4.4386	2.3490		4.9440	4.9440	4.9440
H4	1.0921	2.6889	4.9440		1.7603	1.7603
H5	1.0921	2.6889	4.9440	1.7603		1.7603
H6	1.0921	2.6889	4.9440	1.7603	1.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.474
Mg2	C1	H5	111.474	Mg2	C1	H6	111.474
H4	C1	H5	107.396	H4	C1	H6	107.396
H5	C1	H6	107.396

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

using model chemistry: CCSD/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: CCSD/6-31G**

States and conformations

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