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	hartrees
Energy at 0K	-2812.286576
Energy at 298.15K
HF Energy	-2811.786278
Nuclear repulsion energy	165.659063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3008	2917
2	A₁	1160	1125
3	A₁	607	588
4	A₁	302	292
5	E	3087	2995
5	E	3087	2994
6	E	1459	1415
6	E	1459	1415
7	E	574	556
7	E	573	556
8	E	103	100
8	E	102	99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.199
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.239
H4	0.000	1.019	-3.601
H5	0.882	-0.509	-3.601
H6	-0.882	-0.509	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0845	4.4384	1.0952	1.0952	1.0952
Mg2	2.0845		2.3538	2.6868	2.6868	2.6868
Br3	4.4384	2.3538		4.9460	4.9460	4.9460
H4	1.0952	2.6868	4.9460		1.7649	1.7649
H5	1.0952	2.6868	4.9460	1.7649		1.7649
H6	1.0952	2.6868	4.9460	1.7649	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.506
Mg2	C1	H5	111.506	Mg2	C1	H6	111.506
H4	C1	H5	107.362	H4	C1	H6	107.362
H5	C1	H6	107.362

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

using model chemistry: CCSD(T)/aug-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(T)/aug-cc-pVTZ

States and conformations

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