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	hartrees
Energy at 0K	-2811.998375
Energy at 298.15K
HF Energy	-2811.675750
Nuclear repulsion energy	165.403010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3016	2875	26.32
2	A₁	1225	1168	0.52
3	A₁	611	582	75.08
4	A₁	305	291	14.94
5	E	3093	2950	17.59
5	E	3093	2950	17.59
6	E	1493	1423	0.25
6	E	1493	1423	0.25
7	E	607	578	88.95
7	E	607	578	88.95
8	E	109	104	28.77
8	E	109	104	28.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.203
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.241
H4	0.000	1.020	-3.611
H5	0.883	-0.510	-3.611
H6	-0.883	-0.510	-3.611

	C1	Mg2	Br3	H4	H5	H6
C1		2.0874	4.4443	1.0981	1.0981	1.0981
Mg2	2.0874		2.3569	2.6954	2.6954	2.6954
Br3	4.4443	2.3569		4.9580	4.9580	4.9580
H4	1.0981	2.6954	4.9580		1.7660	1.7660
H5	1.0981	2.6954	4.9580	1.7660		1.7660
H6	1.0981	2.6954	4.9580	1.7660	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.795
Mg2	C1	H5	111.795	Mg2	C1	H6	111.795
H4	C1	H5	107.051	H4	C1	H6	107.051
H5	C1	H6	107.051

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

using model chemistry: CCSD/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: CCSD/6-311G*

States and conformations

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