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	hartrees
Energy at 0K	-2812.047245
Energy at 298.15K
HF Energy	-2811.688064
Nuclear repulsion energy	165.035631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3024	2913
2	A₁	1159	1117
3	A₁	605	583
4	A₁	305	294
5	E	3115	3001
5	E	3115	3001
6	E	1443	1390
6	E	1443	1390
7	E	576	555
7	E	576	555
8	E	104	100
8	E	104	100

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.211
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.243
H4	0.000	1.030	-3.619
H5	0.892	-0.515	-3.619
H6	-0.892	-0.515	-3.619

	C1	Mg2	Br3	H4	H5	H6
C1		2.0954	4.4547	1.1082	1.1082	1.1082
Mg2	2.0954		2.3592	2.7071	2.7071	2.7071
Br3	4.4547	2.3592		4.9705	4.9705	4.9705
H4	1.1082	2.7071	4.9705		1.7847	1.7847
H5	1.1082	2.7071	4.9705	1.7847		1.7847
H6	1.1082	2.7071	4.9705	1.7847	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.594
Mg2	C1	H5	111.594	Mg2	C1	H6	111.594
H4	C1	H5	107.267	H4	C1	H6	107.267
H5	C1	H6	107.267

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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)=FULL/cc-pVDZ

States and conformations

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