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	hartrees
Energy at 0K	-2809.484412
Energy at 298.15K
HF Energy	-2809.183480
Nuclear repulsion energy	165.714788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3046	2901	19.16
2	A₁	1235	1176	4.97
3	A₁	611	582	63.81
4	A₁	308	293	13.57
5	E	3129	2979	16.41
5	E	3129	2979	16.41
6	E	1513	1441	0.02
6	E	1513	1441	0.02
7	E	618	588	93.80
7	E	618	588	93.80
8	E	126	120	25.50
8	E	126	120	25.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.201
Mg2	0.000	0.000	-1.111
Br3	0.000	0.000	1.239
H4	0.000	1.022	-3.603
H5	0.885	-0.511	-3.603
H6	-0.885	-0.511	-3.603

	C1	Mg2	Br3	H4	H5	H6
C1		2.0891	4.4392	1.0985	1.0985	1.0985
Mg2	2.0891		2.3500	2.6934	2.6934	2.6934
Br3	4.4392	2.3500		4.9487	4.9487	4.9487
H4	1.0985	2.6934	4.9487		1.7700	1.7700
H5	1.0985	2.6934	4.9487	1.7700		1.7700
H6	1.0985	2.6934	4.9487	1.7700	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.517
Mg2	C1	H5	111.517	Mg2	C1	H6	111.517
H4	C1	H5	107.350	H4	C1	H6	107.350
H5	C1	H6	107.350

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

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

States and conformations

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