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	hartrees
Energy at 0K	-2809.509339
Energy at 298.15K
HF Energy	-2809.189117
Nuclear repulsion energy	165.802867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2907	21.05
2	A₁	1228	1156	8.39
3	A₁	611	575	65.67
4	A₁	308	290	13.11
5	E	3177	2990	18.49
5	E	3177	2990	18.49
6	E	1517	1428	0.41
6	E	1517	1428	0.41
7	E	613	577	88.05
7	E	613	577	88.05
8	E	127	120	26.52
8	E	127	120	26.52

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	1.238
H4	0.000	1.017	-3.601
H5	0.880	-0.508	-3.601
H6	-0.880	-0.508	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0902	4.4395	1.0924	1.0924	1.0924
Mg2	2.0902		2.3494	2.6895	2.6895	2.6895
Br3	4.4395	2.3494		4.9450	4.9450	4.9450
H4	1.0924	2.6895	4.9450		1.7608	1.7608
H5	1.0924	2.6895	4.9450	1.7608		1.7608
H6	1.0924	2.6895	4.9450	1.7608	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.469
Mg2	C1	H5	111.469	Mg2	C1	H6	111.469
H4	C1	H5	107.401	H4	C1	H6	107.401
H5	C1	H6	107.401

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)