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	hartrees
Energy at 0K	-2812.062943
Energy at 298.15K
HF Energy	-2811.694030
Nuclear repulsion energy	164.035362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2995	2995
2	A₁	1143	1143
3	A₁	599	599
4	A₁	295	295
5	E	3085	3085
5	E	3085	3085
6	E	1429	1429
6	E	1429	1429
7	E	567	567
7	E	567	567
8	E	104	104
8	E	104	104

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.229
Mg2	0.000	0.000	-1.126
Br3	0.000	0.000	1.251
H4	0.000	1.030	-3.637
H5	0.892	-0.515	-3.637
H6	-0.892	-0.515	-3.637

	C1	Mg2	Br3	H4	H5	H6
C1		2.1026	4.4800	1.1082	1.1082	1.1082
Mg2	2.1026		2.3775	2.7140	2.7140	2.7140
Br3	4.4800	2.3775		4.9957	4.9957	4.9957
H4	1.1082	2.7140	4.9957		1.7844	1.7844
H5	1.1082	2.7140	4.9957	1.7844		1.7844
H6	1.1082	2.7140	4.9957	1.7844	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.617
Mg2	C1	H5	111.617	Mg2	C1	H6	111.617
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: MP4/daug-cc-pVDZ

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: MP4/daug-cc-pVDZ

States and conformations

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