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	hartrees
Energy at 0K	-2812.288633
Energy at 298.15K
HF Energy	-2811.786400
Nuclear repulsion energy	165.671949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3009	3009
2	A₁	1160	1160
3	A₁	606	606
4	A₁	301	301
5	E	3089	3089
5	E	3089	3089
6	E	1458	1458
6	E	1458	1458
7	E	572	572
7	E	571	571
8	E	105	105
8	E	104	104

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.200
Mg2	0.000	0.000	-1.114
Br3	0.000	0.000	1.239
H4	0.000	1.019	-3.601
H5	0.882	-0.509	-3.601
H6	-0.882	-0.509	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0854	4.4386	1.0951	1.0951	1.0951
Mg2	2.0854		2.3533	2.6876	2.6876	2.6876
Br3	4.4386	2.3533		4.9463	4.9463	4.9463
H4	1.0951	2.6876	4.9463		1.7646	1.7646
H5	1.0951	2.6876	4.9463	1.7646		1.7646
H6	1.0951	2.6876	4.9463	1.7646	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.515
Mg2	C1	H5	111.515	Mg2	C1	H6	111.515
H4	C1	H5	107.353	H4	C1	H6	107.353
H5	C1	H6	107.353

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

using model chemistry: CCSD(T)/daug-cc-pVTZ

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(T)/daug-cc-pVTZ

States and conformations

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