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	hartrees
Energy at 0K	-2812.364971
Energy at 298.15K
HF Energy	-2811.792243
Nuclear repulsion energy	165.961869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3015	2924
2	A₁	1160	1124
3	A₁	608	590
4	A₁	302	293
5	E	3097	3004
5	E	3097	3003
6	E	1455	1411
6	E	1455	1411
7	E	573	556
7	E	572	555
8	E	104	101
8	E	103	100

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.193
Mg2	0.000	0.000	-1.112
Br3	0.000	0.000	1.237
H4	0.000	1.017	-3.595
H5	0.881	-0.508	-3.595
H6	-0.881	-0.508	-3.595

	C1	Mg2	Br3	H4	H5	H6
C1		2.0812	4.4304	1.0933	1.0933	1.0933
Mg2	2.0812		2.3492	2.6833	2.6833	2.6833
Br3	4.4304	2.3492		4.9383	4.9383	4.9383
H4	1.0933	2.6833	4.9383		1.7610	1.7610
H5	1.0933	2.6833	4.9383	1.7610		1.7610
H6	1.0933	2.6833	4.9383	1.7610	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.574
Mg2	C1	H5	111.574	Mg2	C1	H6	111.574
H4	C1	H5	107.289	H4	C1	H6	107.289
H5	C1	H6	107.289

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

using model chemistry: CCSD(T)/cc-pVQZ

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(T)/cc-pVQZ

States and conformations

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