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	hartrees
Energy at 0K	-2798.498477
Energy at 298.15K
HF Energy	-2798.249784
Nuclear repulsion energy	167.267429

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	3057	2908	9.36	88.08	0.00	0.00
2	A₁	1273	1211	1.59	51.92	0.06	0.12
3	A₁	629	599	57.71	10.48	0.04	0.08
4	A₁	322	306	10.80	17.21	0.17	0.29
5	E	3139	2986	11.31	108.41	0.75	0.86
5	E	3139	2986	11.31	108.41	0.75	0.86
6	E	1567	1491	0.15	5.63	0.75	0.86
6	E	1567	1491	0.15	5.63	0.75	0.86
7	E	658	626	107.61	3.19	0.75	0.86
7	E	658	626	107.61	3.19	0.75	0.86
8	E	122	116	22.73	0.38	0.75	0.86
8	E	122	116	22.73	0.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.187
Mg2	0.000	0.000	-1.091
Br3	0.000	0.000	1.226
H4	0.000	1.028	-3.572
H5	0.890	-0.514	-3.572
H6	-0.890	-0.514	-3.572

	C1	Mg2	Br3	H4	H5	H6
C1		2.0962	4.4131	1.0978	1.0978	1.0978
Mg2	2.0962		2.3169	2.6862	2.6862	2.6862
Br3	4.4131	2.3169		4.9075	4.9075	4.9075
H4	1.0978	2.6862	4.9075		1.7803	1.7803
H5	1.0978	2.6862	4.9075	1.7803		1.7803
H6	1.0978	2.6862	4.9075	1.7803	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	110.565
Mg2	C1	H5	110.565	Mg2	C1	H6	110.565
H4	C1	H5	108.356	H4	C1	H6	108.356
H5	C1	H6	108.356

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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