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	hartrees
Energy at 0K	-2812.383951
Energy at 298.15K
HF Energy	-2811.786112
Nuclear repulsion energy	167.291592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3039	2946
2	A₁	1154	1118
3	A₁	628	608
4	A₁	311	302
5	E	3097	3002
5	E	3097	3002
6	E	1464	1420
6	E	1464	1419
7	E	560	543
7	E	559	542
8	E	117	114
8	E	116	113

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.168
Mg2	0.000	0.000	-1.102
Br3	0.000	0.000	1.227
H4	0.000	1.016	-3.567
H5	0.880	-0.508	-3.567
H6	-0.880	-0.508	-3.567

	C1	Mg2	Br3	H4	H5	H6
C1		2.0658	4.3943	1.0918	1.0918	1.0918
Mg2	2.0658		2.3285	2.6666	2.6666	2.6666
Br3	4.3943	2.3285		4.9005	4.9005	4.9005
H4	1.0918	2.6666	4.9005		1.7597	1.7597
H5	1.0918	2.6666	4.9005	1.7597		1.7597
H6	1.0918	2.6666	4.9005	1.7597	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.480
Mg2	C1	H5	111.480	Mg2	C1	H6	111.480
H4	C1	H5	107.390	H4	C1	H6	107.390
H5	C1	H6	107.390

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

using model chemistry: MP4=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

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