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	hartrees
Energy at 0K	-2812.357305
Energy at 298.15K
HF Energy	-2811.785352
Nuclear repulsion energy	167.498734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3038	2910
2	A₁	1171	1122
3	A₁	636	609
4	A₁	315	302
5	E	3098	2968
5	E	3098	2968
6	E	1465	1404
6	E	1465	1403
7	E	562	538
7	E	562	538
8	E	116	112
8	E	116	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.163
Mg2	0.000	0.000	-1.101
Br3	0.000	0.000	1.225
H4	0.000	1.014	-3.563
H5	0.878	-0.507	-3.563
H6	-0.878	-0.507	-3.563

	C1	Mg2	Br3	H4	H5	H6
C1		2.0621	4.3882	1.0900	1.0900	1.0900
Mg2	2.0621		2.3260	2.6631	2.6631	2.6631
Br3	4.3882	2.3260		4.8947	4.8947	4.8947
H4	1.0900	2.6631	4.8947		1.7559	1.7559
H5	1.0900	2.6631	4.8947	1.7559		1.7559
H6	1.0900	2.6631	4.8947	1.7559	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.552
Mg2	C1	H5	111.552	Mg2	C1	H6	111.552
H4	C1	H5	107.312	H4	C1	H6	107.312
H5	C1	H6	107.312

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

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

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-pVTZ

States and conformations

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