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	hartrees
Energy at 0K	-2812.256546
Energy at 298.15K
HF Energy	-2811.785605
Nuclear repulsion energy	165.924495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3033	2855	22.85
2	A₁	1179	1110	0.70
3	A₁	612	576	81.57
4	A₁	305	287	13.92
5	E	3112	2929	16.36
5	E	3112	2929	16.36
6	E	1470	1384	0.10
6	E	1470	1384	0.10
7	E	578	544	74.98
7	E	578	544	74.98
8	E	102	96	30.57
8	E	102	96	30.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.195
Mg2	0.000	0.000	-1.112
Br3	0.000	0.000	1.237
H4	0.000	1.016	-3.597
H5	0.880	-0.508	-3.597
H6	-0.880	-0.508	-3.597

	C1	Mg2	Br3	H4	H5	H6
C1		2.0825	4.4321	1.0926	1.0926	1.0926
Mg2	2.0825		2.3496	2.6845	2.6845	2.6845
Br3	4.4321	2.3496		4.9401	4.9401	4.9401
H4	1.0926	2.6845	4.9401		1.7593	1.7593
H5	1.0926	2.6845	4.9401	1.7593		1.7593
H6	1.0926	2.6845	4.9401	1.7593	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.611
Mg2	C1	H5	111.611	Mg2	C1	H6	111.611
H4	C1	H5	107.249	H4	C1	H6	107.249
H5	C1	H6	107.249

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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