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	hartrees
Energy at 0K	-2812.381391
Energy at 298.15K
HF Energy	-2811.786112
Nuclear repulsion energy	167.284204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3037	2927
2	A₁	1157	1115
3	A₁	628	605
4	A₁	311	300
5	E	3091	2979
5	E	3091	2979
6	E	1465	1412
6	E	1465	1412
7	E	559	539
7	E	559	539
8	E	117	113
8	E	116	112

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.168
Mg2	0.000	0.000	-1.102
Br3	0.000	0.000	1.227
H4	0.000	1.016	-3.568
H5	0.880	-0.508	-3.568
H6	-0.880	-0.508	-3.568

	C1	Mg2	Br3	H4	H5	H6
C1		2.0655	4.3942	1.0918	1.0918	1.0918
Mg2	2.0655		2.3287	2.6667	2.6667	2.6667
Br3	4.3942	2.3287		4.9008	4.9008	4.9008
H4	1.0918	2.6667	4.9008		1.7595	1.7595
H5	1.0918	2.6667	4.9008	1.7595		1.7595
H6	1.0918	2.6667	4.9008	1.7595	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.502
Mg2	C1	H5	111.502	Mg2	C1	H6	111.502
H4	C1	H5	107.366	H4	C1	H6	107.366
H5	C1	H6	107.366

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

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

States and conformations

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