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	hartrees
Energy at 0K	-2811.965708
Energy at 298.15K
HF Energy	-2811.675878
Nuclear repulsion energy	165.665481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2857	26.60
2	A₁	1251	1162	0.03
3	A₁	620	576	82.24
4	A₁	308	286	15.84
5	E	3154	2930	17.05
5	E	3154	2930	17.05
6	E	1519	1412	0.41
6	E	1519	1412	0.41
7	E	613	569	91.11
7	E	613	569	91.11
8	E	111	103	31.75
8	E	111	103	31.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.197
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.239
H4	0.000	1.014	-3.605
H5	0.878	-0.507	-3.605
H6	-0.878	-0.507	-3.605

	C1	Mg2	Br3	H4	H5	H6
C1		2.0816	4.4364	1.0933	1.0933	1.0933
Mg2	2.0816		2.3548	2.6881	2.6881	2.6881
Br3	4.4364	2.3548		4.9493	4.9493	4.9493
H4	1.0933	2.6881	4.9493		1.7569	1.7569
H5	1.0933	2.6881	4.9493	1.7569		1.7569
H6	1.0933	2.6881	4.9493	1.7569	1.7569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.903
Mg2	C1	H5	111.903	Mg2	C1	H6	111.903
H4	C1	H5	106.934	H4	C1	H6	106.934
H5	C1	H6	106.934

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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