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	hartrees
Energy at 0K	-2812.060723
Energy at 298.15K
HF Energy	-2811.693248
Nuclear repulsion energy	163.925799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2994	2882
2	A₁	1143	1100
3	A₁	596	573
4	A₁	294	283
5	E	3081	2966
5	E	3081	2965
6	E	1424	1370
6	E	1424	1370
7	E	560	539
7	E	560	539
8	E	105	101
8	E	105	101

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.231
Mg2	0.000	0.000	-1.127
Br3	0.000	0.000	1.252
H4	0.000	1.031	-3.638
H5	0.893	-0.515	-3.638
H6	-0.893	-0.515	-3.638

	C1	Mg2	Br3	H4	H5	H6
C1		2.1034	4.4829	1.1084	1.1084	1.1084
Mg2	2.1034		2.3795	2.7141	2.7141	2.7141
Br3	4.4829	2.3795		4.9977	4.9977	4.9977
H4	1.1084	2.7141	4.9977		1.7854	1.7854
H5	1.1084	2.7141	4.9977	1.7854		1.7854
H6	1.1084	2.7141	4.9977	1.7854	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.560
Mg2	C1	H5	111.560	Mg2	C1	H6	111.560
H4	C1	H5	107.304	H4	C1	H6	107.304
H5	C1	H6	107.304

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

using model chemistry: CCSD(T)/aug-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(T)/aug-cc-pVDZ

States and conformations

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