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	hartrees
Energy at 0K	-2811.967057
Energy at 298.15K
HF Energy	-2811.675873
Nuclear repulsion energy	165.620549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	2840	27.88
2	A₁	1249	1156	0.00
3	A₁	619	572	81.35
4	A₁	308	285	15.76
5	E	3146	2911	18.48
5	E	3146	2911	18.48
6	E	1519	1405	0.35
6	E	1519	1405	0.35
7	E	612	566	90.37
7	E	612	566	90.37
8	E	111	103	31.50
8	E	111	103	31.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.198
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.240
H4	0.000	1.015	-3.606
H5	0.879	-0.507	-3.606
H6	-0.879	-0.507	-3.606

	C1	Mg2	Br3	H4	H5	H6
C1		2.0825	4.4378	1.0937	1.0937	1.0937
Mg2	2.0825		2.3553	2.6891	2.6891	2.6891
Br3	4.4378	2.3553		4.9507	4.9507	4.9507
H4	1.0937	2.6891	4.9507		1.7577	1.7577
H5	1.0937	2.6891	4.9507	1.7577		1.7577
H6	1.0937	2.6891	4.9507	1.7577	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.890
Mg2	C1	H5	111.890	Mg2	C1	H6	111.890
H4	C1	H5	106.947	H4	C1	H6	106.947
H5	C1	H6	106.947

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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