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	hartrees
Energy at 0K	-2798.498035
Energy at 298.15K
HF Energy	-2798.249840
Nuclear repulsion energy	167.432812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3059	2846	17.52
2	A₁	1297	1207	0.38
3	A₁	636	592	61.06
4	A₁	324	301	11.31
5	E	3133	2915	15.28
5	E	3133	2915	15.28
6	E	1575	1465	0.04
6	E	1575	1465	0.04
7	E	661	615	108.23
7	E	661	615	108.23
8	E	125	116	25.28
8	E	125	116	25.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.182
Mg2	0.000	0.000	-1.089
Br3	0.000	0.000	1.225
H4	0.000	1.025	-3.573
H5	0.888	-0.513	-3.573
H6	-0.888	-0.513	-3.573

	C1	Mg2	Br3	H4	H5	H6
C1		2.0923	4.4070	1.0975	1.0975	1.0975
Mg2	2.0923		2.3147	2.6869	2.6869	2.6869
Br3	4.4070	2.3147		4.9065	4.9065	4.9065
H4	1.0975	2.6869	4.9065		1.7760	1.7760
H5	1.0975	2.6869	4.9065	1.7760		1.7760
H6	1.0975	2.6869	4.9065	1.7760	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	110.881
Mg2	C1	H5	110.881	Mg2	C1	H6	110.881
H4	C1	H5	108.026	H4	C1	H6	108.026
H5	C1	H6	108.026

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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