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	hartrees
Energy at 0K	-2809.194249
Energy at 298.15K
HF Energy	-2809.040287
Nuclear repulsion energy	163.134070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3032	2843	32.06
2	A₁	1288	1208	0.68
3	A₁	611	573	41.47
4	A₁	297	279	12.71
5	E	3115	2921	22.36
5	E	3115	2921	22.36
6	E	1526	1431	0.28
6	E	1526	1431	0.28
7	E	665	623	108.40
7	E	665	623	108.40
8	E	131	123	30.02
8	E	131	123	30.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.238
Mg2	0.000	0.000	-1.144
Br3	0.000	0.000	1.259
H4	0.000	1.028	-3.634
H5	0.890	-0.514	-3.634
H6	-0.890	-0.514	-3.634

	C1	Mg2	Br3	H4	H5	H6
C1		2.0937	4.4965	1.1015	1.1015	1.1015
Mg2	2.0937		2.4028	2.6940	2.6940	2.6940
Br3	4.4965	2.4028		4.9998	4.9998	4.9998
H4	1.1015	2.6940	4.9998		1.7800	1.7800
H5	1.1015	2.6940	4.9998	1.7800		1.7800
H6	1.1015	2.6940	4.9998	1.7800	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.098
Mg2	C1	H5	111.098	Mg2	C1	H6	111.098
H4	C1	H5	107.796	H4	C1	H6	107.796
H5	C1	H6	107.796

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

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

States and conformations

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