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	hartrees
Energy at 0K	-2811.990443
Energy at 298.15K
HF Energy	-2811.688262
Nuclear repulsion energy	165.280668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2856	24.21
2	A₁	1197	1106	1.02
3	A₁	615	568	80.89
4	A₁	307	283	13.91
5	E	3180	2939	15.49
5	E	3180	2939	15.49
6	E	1478	1365	0.01
6	E	1478	1365	0.01
7	E	586	541	86.28
7	E	586	541	86.28
8	E	107	99	30.80
8	E	107	99	30.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.204
Mg2	0.000	0.000	-1.117
Br3	0.000	0.000	1.242
H4	0.000	1.025	-3.611
H5	0.888	-0.512	-3.611
H6	-0.888	-0.512	-3.611

	C1	Mg2	Br3	H4	H5	H6
C1		2.0864	4.4453	1.1029	1.1029	1.1029
Mg2	2.0864		2.3589	2.6961	2.6961	2.6961
Br3	4.4453	2.3589		4.9596	4.9596	4.9596
H4	1.1029	2.6961	4.9596		1.7752	1.7752
H5	1.1029	2.6961	4.9596	1.7752		1.7752
H6	1.1029	2.6961	4.9596	1.7752	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.669
Mg2	C1	H5	111.669	Mg2	C1	H6	111.669
H4	C1	H5	107.186	H4	C1	H6	107.186
H5	C1	H6	107.186

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

using model chemistry: CID/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: CID/cc-pVDZ

States and conformations

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