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	hartrees
Energy at 0K	-2809.523673
Energy at 298.15K
HF Energy	-2809.201117
Nuclear repulsion energy	165.290383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2907	35.19
2	A₁	1211	1145	2.03
3	A₁	608	575	73.70
4	A₁	301	285	15.88
5	E	3167	2994	17.47
5	E	3167	2994	17.47
6	E	1496	1414	0.02
6	E	1496	1414	0.02
7	E	610	577	79.79
7	E	610	577	79.79
8	E	158	149	27.58
8	E	158	149	27.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.207
Mg2	0.000	0.000	-1.119
Br3	0.000	0.000	1.242
H4	0.000	1.019	-3.603
H5	0.883	-0.510	-3.603
H6	-0.883	-0.510	-3.603

	C1	Mg2	Br3	H4	H5	H6
C1		2.0886	4.4494	1.0933	1.0933	1.0933
Mg2	2.0886		2.3608	2.6852	2.6852	2.6852
Br3	4.4494	2.3608		4.9511	4.9511	4.9511
H4	1.0933	2.6852	4.9511		1.7653	1.7653
H5	1.0933	2.6852	4.9511	1.7653		1.7653
H6	1.0933	2.6852	4.9511	1.7653	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.219
Mg2	C1	H5	111.219	Mg2	C1	H6	111.219
H4	C1	H5	107.668	H4	C1	H6	107.668
H5	C1	H6	107.668

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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