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	hartrees
Energy at 0K	-2781.128520
Energy at 298.15K
HF Energy	-2781.041786
Nuclear repulsion energy	174.829532

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	3324	2954	2.97	46.20	0.00	0.01
2	A₁	1538	1367	0.55	1.46	0.38	0.55
3	A₁	870	774	95.80	3.99	0.29	0.45
4	A₁	423	376	10.96	7.22	0.30	0.46
5	E	3501	3112	14.38	35.35	0.75	0.86
5	E	3501	3112	14.38	35.35	0.75	0.86
6	E	1795	1595	0.12	15.18	0.75	0.86
6	E	1795	1595	0.12	15.18	0.75	0.86
7	E	763	678	44.79	0.37	0.75	0.86
7	E	763	678	44.79	0.37	0.75	0.86
8	E	127	113	50.82	0.05	0.75	0.86
8	E	127	113	50.82	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.011
Mg2	0.000	0.000	-1.048
Br3	0.000	0.000	1.170
H4	0.000	1.017	-3.437
H5	0.881	-0.508	-3.437
H6	-0.881	-0.508	-3.437

	C1	Mg2	Br3	H4	H5	H6
C1		1.9633	4.1816	1.1023	1.1023	1.1023
Mg2	1.9633		2.2183	2.5963	2.5963	2.5963
Br3	4.1816	2.2183		4.7180	4.7180	4.7180
H4	1.1023	2.5963	4.7180		1.7612	1.7612
H5	1.1023	2.5963	4.7180	1.7612		1.7612
H6	1.1023	2.5963	4.7180	1.7612	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	112.707
Mg2	C1	H5	112.708	Mg2	C1	H6	112.708
H4	C1	H5	106.050	H4	C1	H6	106.050
H5	C1	H6	106.050

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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