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	hartrees
Energy at 0K	-2812.269208
Energy at 298.15K
HF Energy	-2811.786476
Nuclear repulsion energy	165.943551

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.194
Mg2	0.000	0.000	-1.113
Br3	0.000	0.000	1.237
H4	0.000	1.016	-3.594
H5	0.880	-0.508	-3.594
H6	-0.880	-0.508	-3.594

	C1	Mg2	Br3	H4	H5	H6
C1		2.0806	4.4310	1.0917	1.0917	1.0917
Mg2	2.0806		2.3503	2.6807	2.6807	2.6807
Br3	4.4310	2.3503		4.9367	4.9367	4.9367
H4	1.0917	2.6807	4.9367		1.7593	1.7593
H5	1.0917	2.6807	4.9367	1.7593		1.7593
H6	1.0917	2.6807	4.9367	1.7593	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.503
Mg2	C1	H5	111.503	Mg2	C1	H6	111.503
H4	C1	H5	107.365	H4	C1	H6	107.365
H5	C1	H6	107.365

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

using model chemistry: MP3/daug-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: MP3/daug-cc-pVTZ

States and conformations

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