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	hartrees
Energy at 0K	-2798.517925
Energy at 298.15K
HF Energy	-2798.249791
Nuclear repulsion energy	167.444143

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	3058	2899	9.34	88.12	0.00	0.00
2	A₁	1273	1207	1.67	52.51	0.06	0.12
3	A₁	632	599	57.61	10.48	0.04	0.08
4	A₁	323	307	10.67	17.39	0.17	0.29
5	E	3140	2977	11.06	108.38	0.75	0.86
5	E	3140	2977	11.06	108.38	0.75	0.86
6	E	1567	1486	0.15	5.61	0.75	0.86
6	E	1567	1486	0.15	5.61	0.75	0.86
7	E	660	625	107.46	3.17	0.75	0.86
7	E	660	625	107.46	3.17	0.75	0.86
8	E	122	116	22.55	0.39	0.75	0.86
8	E	122	116	22.55	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.184
Mg2	0.000	0.000	-1.089
Br3	0.000	0.000	1.225
H4	0.000	1.028	-3.569
H5	0.890	-0.514	-3.569
H6	-0.890	-0.514	-3.569

	C1	Mg2	Br3	H4	H5	H6
C1		2.0950	4.4088	1.0976	1.0976	1.0976
Mg2	2.0950		2.3138	2.6849	2.6849	2.6849
Br3	4.4088	2.3138		4.9032	4.9032	4.9032
H4	1.0976	2.6849	4.9032		1.7801	1.7801
H5	1.0976	2.6849	4.9032	1.7801		1.7801
H6	1.0976	2.6849	4.9032	1.7801	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	110.557
Mg2	C1	H5	110.557	Mg2	C1	H6	110.557
H4	C1	H5	108.363	H4	C1	H6	108.363
H5	C1	H6	108.363

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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