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	hartrees
Energy at 0K	-2812.151512
Energy at 298.15K
HF Energy	-2811.717181
Nuclear repulsion energy	164.314060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3036	2924
2	A₁	1222	1177
3	A₁	587	565
4	A₁	291	280
5	E	3118	3003
5	E	3118	3003
6	E	1433	1380
6	E	1432	1380
7	E	604	582
7	E	604	582
8	E	103	99
8	E	102	99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.221
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.250
H4	0.000	1.016	-3.629
H5	0.880	-0.508	-3.629
H6	-0.880	-0.508	-3.629

	C1	Mg2	Br3	H4	H5	H6
C1		2.0927	4.4713	1.0945	1.0945	1.0945
Mg2	2.0927		2.3785	2.6989	2.6989	2.6989
Br3	4.4713	2.3785		4.9836	4.9836	4.9836
H4	1.0945	2.6989	4.9836		1.7592	1.7592
H5	1.0945	2.6989	4.9836	1.7592		1.7592
H6	1.0945	2.6989	4.9836	1.7592	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.875
Mg2	C1	H5	111.875	Mg2	C1	H6	111.875
H4	C1	H5	106.964	H4	C1	H6	106.964
H5	C1	H6	106.964

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

using model chemistry: QCISD(T)/TZVP

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(T)/TZVP

States and conformations

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