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	hartrees
Energy at 0K	-2809.203941
Energy at 298.15K
HF Energy	-2809.040067
Nuclear repulsion energy	162.897585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3004	2882	31.60
2	A₁	1277	1225	1.79
3	A₁	604	579	38.91
4	A₁	295	283	12.52
5	E	3091	2966	21.08
5	E	3091	2966	21.08
6	E	1510	1449	0.20
6	E	1510	1449	0.20
7	E	662	635	108.72
7	E	662	635	108.72
8	E	130	125	28.77
8	E	130	125	28.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.244
Mg2	0.000	0.000	-1.145
Br3	0.000	0.000	1.261
H4	0.000	1.030	-3.641
H5	0.892	-0.515	-3.641
H6	-0.892	-0.515	-3.641

	C1	Mg2	Br3	H4	H5	H6
C1		2.0990	4.5041	1.1044	1.1044	1.1044
Mg2	2.0990		2.4051	2.7005	2.7005	2.7005
Br3	4.5041	2.4051		5.0084	5.0084	5.0084
H4	1.1044	2.7005	5.0084		1.7849	1.7849
H5	1.1044	2.7005	5.0084	1.7849		1.7849
H6	1.1044	2.7005	5.0084	1.7849	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.074
Mg2	C1	H5	111.074	Mg2	C1	H6	111.074
H4	C1	H5	107.822	H4	C1	H6	107.822
H5	C1	H6	107.822

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

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

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