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	hartrees
Energy at 0K	-2798.162483
Energy at 298.15K
HF Energy	-2797.996918
Nuclear repulsion energy	162.167967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2902	22.00
2	A₁	1287	1248	2.95
3	A₁	605	586	39.48
4	A₁	292	283	9.65
5	E	3064	2970	19.30
5	E	3064	2970	19.30
6	E	1542	1495	0.00
6	E	1542	1495	0.00
7	E	670	649	110.72
7	E	670	649	110.72
8	E	92	89	24.30
8	E	92	89	24.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.264
Mg2	0.000	0.000	-1.147
Br3	0.000	0.000	1.267
H4	0.000	1.028	-3.663
H5	0.890	-0.514	-3.663
H6	-0.890	-0.514	-3.663

	C1	Mg2	Br3	H4	H5	H6
C1		2.1172	4.5312	1.1022	1.1022	1.1022
Mg2	2.1172		2.4140	2.7175	2.7175	2.7175
Br3	4.5312	2.4140		5.0357	5.0357	5.0357
H4	1.1022	2.7175	5.0357		1.7799	1.7799
H5	1.1022	2.7175	5.0357	1.7799		1.7800
H6	1.1022	2.7175	5.0357	1.7799	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.194
Mg2	C1	H5	111.194	Mg2	C1	H6	111.194
H4	C1	H5	107.695	H4	C1	H6	107.695
H5	C1	H6	107.695

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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