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	hartrees
Energy at 0K	-2812.151642
Energy at 298.15K
HF Energy	-2811.717198
Nuclear repulsion energy	164.356558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3044	2931
2	A₁	1224	1178
3	A₁	589	567
4	A₁	291	281
5	E	3130	3014
5	E	3129	3013
6	E	1433	1380
6	E	1432	1379
7	E	603	581
7	E	603	581
8	E	103	99
8	E	102	98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.220
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.250
H4	0.000	1.015	-3.628
H5	0.879	-0.507	-3.628
H6	-0.879	-0.507	-3.628

	C1	Mg2	Br3	H4	H5	H6
C1		2.0918	4.4699	1.0939	1.0939	1.0939
Mg2	2.0918		2.3781	2.6981	2.6981	2.6981
Br3	4.4699	2.3781		4.9825	4.9825	4.9825
H4	1.0939	2.6981	4.9825		1.7580	1.7580
H5	1.0939	2.6981	4.9825	1.7580		1.7580
H6	1.0939	2.6981	4.9825	1.7580	1.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.905
Mg2	C1	H5	111.905	Mg2	C1	H6	111.905
H4	C1	H5	106.932	H4	C1	H6	106.932
H5	C1	H6	106.932

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

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

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