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	hartrees
Energy at 0K	-2812.534352
Energy at 298.15K
HF Energy	-2811.681071
Nuclear repulsion energy	165.867398

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	3068	2910	14.79	142.78	0.00	0.00
2	A₁	1185	1124	0.44	74.86	0.11	0.20
3	A₁	617	586	82.68	10.95	0.09	0.16
4	A₁	309	293	14.30	17.59	0.19	0.32
5	E	3162	2999	12.04	119.93	0.75	0.86
5	E	3162	2999	12.04	119.93	0.75	0.86
6	E	1465	1390	0.00	2.31	0.75	0.86
6	E	1465	1390	0.00	2.31	0.75	0.86
7	E	598	567	81.86	4.65	0.75	0.86
7	E	598	567	81.86	4.65	0.75	0.86
8	E	111	105	29.61	0.46	0.75	0.86
8	E	111	105	29.61	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.195
Mg2	0.000	0.000	-1.113
Br3	0.000	0.000	1.238
H4	0.000	1.019	-3.595
H5	0.883	-0.510	-3.595
H6	-0.883	-0.510	-3.595

	C1	Mg2	Br3	H4	H5	H6
C1		2.0823	4.4329	1.0950	1.0950	1.0950
Mg2	2.0823		2.3506	2.6832	2.6832	2.6832
Br3	4.4329	2.3506		4.9390	4.9390	4.9390
H4	1.0950	2.6832	4.9390		1.7656	1.7656
H5	1.0950	2.6832	4.9390	1.7656		1.7656
H6	1.0950	2.6832	4.9390	1.7656	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.415
Mg2	C1	H5	111.415	Mg2	C1	H6	111.415
H4	C1	H5	107.459	H4	C1	H6	107.459
H5	C1	H6	107.459

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

using model chemistry: MP2=FULL/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=FULL/6-311G**

States and conformations

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