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	hartrees
Energy at 0K	-2812.257129
Energy at 298.15K
HF Energy	-2811.785601
Nuclear repulsion energy	165.904400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3030	2895	23.23
2	A₁	1179	1126	0.81
3	A₁	611	584	81.12
4	A₁	305	292	13.82
5	E	3108	2970	16.78
5	E	3108	2970	16.78
6	E	1470	1405	0.11
6	E	1470	1405	0.11
7	E	578	552	74.63
7	E	578	552	74.63
8	E	102	97	30.45
8	E	102	97	30.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.195
Mg2	0.000	0.000	-1.112
Br3	0.000	0.000	1.238
H4	0.000	1.016	-3.598
H5	0.880	-0.508	-3.598
H6	-0.880	-0.508	-3.598

	C1	Mg2	Br3	H4	H5	H6
C1		2.0829	4.4328	1.0928	1.0928	1.0928
Mg2	2.0829		2.3498	2.6850	2.6850	2.6850
Br3	4.4328	2.3498		4.9408	4.9408	4.9408
H4	1.0928	2.6850	4.9408		1.7597	1.7597
H5	1.0928	2.6850	4.9408	1.7597		1.7597
H6	1.0928	2.6850	4.9408	1.7597	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.608
Mg2	C1	H5	111.608	Mg2	C1	H6	111.608
H4	C1	H5	107.252	H4	C1	H6	107.252
H5	C1	H6	107.252

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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