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	hartrees
Energy at 0K	-2812.022299
Energy at 298.15K
HF Energy	-2811.681023
Nuclear repulsion energy	165.460128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3034	3034	25.86
2	A₁	1197	1197	1.83
3	A₁	610	610	78.12
4	A₁	306	306	14.40
5	E	3113	3113	18.84
5	E	3113	3113	18.84
6	E	1470	1470	0.02
6	E	1470	1470	0.02
7	E	594	594	81.00
7	E	594	594	81.00
8	E	109	109	29.79
8	E	109	109	29.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.203
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.241
H4	0.000	1.021	-3.606
H5	0.884	-0.511	-3.606
H6	-0.884	-0.511	-3.606

	C1	Mg2	Br3	H4	H5	H6
C1		2.0880	4.4439	1.0977	1.0977	1.0977
Mg2	2.0880		2.3560	2.6920	2.6920	2.6920
Br3	4.4439	2.3560		4.9531	4.9531	4.9531
H4	1.0977	2.6920	4.9531		1.7687	1.7687
H5	1.0977	2.6920	4.9531	1.7687		1.7687
H6	1.0977	2.6920	4.9531	1.7687	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.526
Mg2	C1	H5	111.526	Mg2	C1	H6	111.526
H4	C1	H5	107.340	H4	C1	H6	107.340
H5	C1	H6	107.340

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)