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	hartrees
Energy at 0K	-2812.031780
Energy at 298.15K
HF Energy	-2811.680965
Nuclear repulsion energy	165.335481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3015	2909
2	A₁	1184	1142
3	A₁	608	586
4	A₁	305	294
5	E	3097	2987
5	E	3096	2987
6	E	1459	1407
6	E	1458	1407
7	E	591	570
7	E	591	570
8	E	108	104
8	E	108	104

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.205
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.241
H4	0.000	1.023	-3.608
H5	0.886	-0.511	-3.608
H6	-0.886	-0.511	-3.608

	C1	Mg2	Br3	H4	H5	H6
C1		2.0890	4.4469	1.0993	1.0993	1.0993
Mg2	2.0890		2.3578	2.6935	2.6935	2.6935
Br3	4.4469	2.3578		4.9562	4.9562	4.9562
H4	1.0993	2.6935	4.9562		1.7718	1.7718
H5	1.0993	2.6935	4.9562	1.7718		1.7718
H6	1.0993	2.6935	4.9562	1.7718	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.483
Mg2	C1	H5	111.483	Mg2	C1	H6	111.483
H4	C1	H5	107.387	H4	C1	H6	107.387
H5	C1	H6	107.387

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

using model chemistry: CCSD(T)/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(T)/6-311G**

States and conformations

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