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	hartrees
Energy at 0K	-2812.550701
Energy at 298.15K
HF Energy	-2811.680987
Nuclear repulsion energy	165.638911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3029	2913
2	A₁	1183	1137
3	A₁	612	588
4	A₁	307	295
5	E	3115	2995
5	E	3115	2995
6	E	1459	1403
6	E	1459	1402
7	E	592	569
7	E	591	569
8	E	110	106
8	E	110	105

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.201
Mg2	0.000	0.000	-1.114
Br3	0.000	0.000	1.239
H4	0.000	1.023	-3.601
H5	0.886	-0.511	-3.601
H6	-0.886	-0.511	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0871	4.4397	1.0983	1.0983	1.0983
Mg2	2.0871		2.3526	2.6898	2.6898	2.6898
Br3	4.4397	2.3526		4.9473	4.9473	4.9473
H4	1.0983	2.6898	4.9473		1.7711	1.7711
H5	1.0983	2.6898	4.9473	1.7711		1.7711
H6	1.0983	2.6898	4.9473	1.7711	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.402
Mg2	C1	H5	111.402	Mg2	C1	H6	111.402
H4	C1	H5	107.473	H4	C1	H6	107.473
H5	C1	H6	107.473

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

using model chemistry: MP4=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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