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	hartrees
Energy at 0K	-2812.274791
Energy at 298.15K
HF Energy	-2811.717278
Nuclear repulsion energy	164.716604

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	3083	2937	21.32	165.03	0.00	0.00
2	A₁	1226	1168	0.00	75.60	0.31	0.47
3	A₁	598	570	77.17	14.59	0.19	0.33
4	A₁	294	280	17.05	18.45	0.28	0.44
5	E	3177	3027	13.73	115.37	0.75	0.86
5	E	3177	3027	13.73	115.38	0.75	0.86
6	E	1442	1374	0.99	11.63	0.75	0.86
6	E	1442	1374	0.99	11.63	0.75	0.86
7	E	610	581	81.81	0.30	0.75	0.86
7	E	610	581	81.81	0.30	0.75	0.86
8	E	105	100	38.43	0.42	0.75	0.86
8	E	105	100	38.43	0.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.211
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.247
H4	0.000	1.012	-3.616
H5	0.876	-0.506	-3.616
H6	-0.876	-0.506	-3.616

	C1	Mg2	Br3	H4	H5	H6
C1		2.0830	4.4581	1.0900	1.0900	1.0900
Mg2	2.0830		2.3751	2.6862	2.6862	2.6862
Br3	4.4581	2.3751		4.9676	4.9676	4.9676
H4	1.0900	2.6862	4.9676		1.7526	1.7526
H5	1.0900	2.6862	4.9676	1.7526		1.7526
H6	1.0900	2.6862	4.9676	1.7526	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.829
Mg2	C1	H5	111.829	Mg2	C1	H6	111.829
H4	C1	H5	107.014	H4	C1	H6	107.014
H5	C1	H6	107.014

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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