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	hartrees
Energy at 0K	-2812.274498
Energy at 298.15K
HF Energy	-2811.785568
Nuclear repulsion energy	165.823878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3017	2924
2	A₁	1161	1125
3	A₁	611	592
4	A₁	305	295
5	E	3101	3005
5	E	3100	3005
6	E	1456	1411
6	E	1456	1411
7	E	573	555
7	E	573	555
8	E	100	97
8	E	100	97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.196
Mg2	0.000	0.000	-1.113
Br3	0.000	0.000	1.238
H4	0.000	1.017	-3.599
H5	0.881	-0.509	-3.599
H6	-0.881	-0.509	-3.599

	C1	Mg2	Br3	H4	H5	H6
C1		2.0826	4.4339	1.0942	1.0942	1.0942
Mg2	2.0826		2.3513	2.6854	2.6854	2.6854
Br3	4.4339	2.3513		4.9424	4.9424	4.9424
H4	1.0942	2.6854	4.9424		1.7622	1.7622
H5	1.0942	2.6854	4.9424	1.7622		1.7622
H6	1.0942	2.6854	4.9424	1.7622	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.589
Mg2	C1	H5	111.589	Mg2	C1	H6	111.589
H4	C1	H5	107.273	H4	C1	H6	107.273
H5	C1	H6	107.273

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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