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	hartrees
Energy at 0K	-21.342879
Energy at 298.15K
HF Energy	-21.208184
Nuclear repulsion energy	18.339293

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	2943	2872	38.63	160.11	0.00	0.00
2	A₁	1249	1219	0.13	90.01	0.14	0.25
3	A₁	588	573	45.62	17.62	0.13	0.23
4	A₁	274	267	16.54	22.93	0.20	0.33
5	E	3054	2980	22.11	147.30	0.75	0.86
5	E	3054	2980	22.11	147.29	0.75	0.86
6	E	1466	1431	0.89	8.17	0.75	0.86
6	E	1466	1431	0.89	8.17	0.75	0.86
7	E	647	631	97.11	5.06	0.75	0.86
7	E	647	631	97.11	5.06	0.75	0.86
8	E	115	112	27.53	0.03	0.75	0.86
8	E	115	112	27.53	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.261
Mg2	0.000	0.000	-1.164
Br3	0.000	0.000	1.272
H4	0.000	1.032	-3.659
H5	0.894	-0.516	-3.659
H6	-0.894	-0.516	-3.659

	C1	Mg2	Br3	H4	H5	H6
C1		2.0976	4.5329	1.1062	1.1062	1.1062
Mg2	2.0976		2.4353	2.7005	2.7005	2.7005
Br3	4.5329	2.4353		5.0377	5.0377	5.0377
H4	1.1062	2.7005	5.0377		1.7877	1.7877
H5	1.1062	2.7005	5.0377	1.7877		1.7877
H6	1.1062	2.7005	5.0377	1.7877	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.079
Mg2	C1	H5	111.079	Mg2	C1	H6	111.079
H4	C1	H5	107.816	H4	C1	H6	107.816
H5	C1	H6	107.816

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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