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	hartrees
Energy at 0K	-2811.969267
Energy at 298.15K
HF Energy	-2811.675847
Nuclear repulsion energy	165.499528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3061	2909	15.97	131.68	0.00	0.00
2	A₁	1218	1158	0.01	83.00	0.10	0.19
3	A₁	613	583	79.12	11.72	0.09	0.16
4	A₁	306	291	14.96	17.71	0.19	0.32
5	E	3153	2996	11.45	124.56	0.75	0.86
5	E	3153	2996	11.45	124.56	0.75	0.86
6	E	1500	1425	0.35	2.21	0.75	0.86
6	E	1500	1425	0.35	2.21	0.75	0.86
7	E	610	580	89.91	4.64	0.75	0.86
7	E	610	580	89.91	4.64	0.75	0.86
8	E	108	103	28.96	0.49	0.75	0.86
8	E	108	103	28.96	0.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.202
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.241
H4	0.000	1.018	-3.605
H5	0.881	-0.509	-3.605
H6	-0.881	-0.509	-3.605

	C1	Mg2	Br3	H4	H5	H6
C1		2.0859	4.4426	1.0944	1.0944	1.0944
Mg2	2.0859		2.3567	2.6887	2.6887	2.6887
Br3	4.4426	2.3567		4.9511	4.9511	4.9511
H4	1.0944	2.6887	4.9511		1.7624	1.7624
H5	1.0944	2.6887	4.9511	1.7624		1.7624
H6	1.0944	2.6887	4.9511	1.7624	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.601
Mg2	C1	H5	111.601	Mg2	C1	H6	111.601
H4	C1	H5	107.260	H4	C1	H6	107.260
H5	C1	H6	107.260

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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