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	hartrees
Energy at 0K	-2812.344062
Energy at 298.15K
HF Energy	-2811.792270
Nuclear repulsion energy	166.189293

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.190
Mg2	0.000	0.000	-1.110
Br3	0.000	0.000	1.235
H4	0.000	1.015	-3.592
H5	0.879	-0.507	-3.592
H6	-0.879	-0.507	-3.592

	C1	Mg2	Br3	H4	H5	H6
C1		2.0794	4.4250	1.0915	1.0915	1.0915
Mg2	2.0794		2.3456	2.6810	2.6810	2.6810
Br3	4.4250	2.3456		4.9327	4.9327	4.9327
H4	1.0915	2.6810	4.9327		1.7576	1.7576
H5	1.0915	2.6810	4.9327	1.7576		1.7576
H6	1.0915	2.6810	4.9327	1.7576	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.618
Mg2	C1	H5	111.618	Mg2	C1	H6	111.618
H4	C1	H5	107.242	H4	C1	H6	107.242
H5	C1	H6	107.242

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

using model chemistry: CCSD/cc-pVQZ

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-pVQZ

States and conformations

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