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	hartrees
Energy at 0K	-2812.022700
Energy at 298.15K
HF Energy	-2811.681017
Nuclear repulsion energy	165.432149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3030	2891	26.33
2	A₁	1197	1142	1.98
3	A₁	610	582	77.67
4	A₁	306	292	14.24
5	E	3110	2968	19.25
5	E	3110	2968	19.25
6	E	1470	1402	0.02
6	E	1470	1402	0.02
7	E	594	566	80.56
7	E	594	566	80.56
8	E	109	104	29.61
8	E	109	104	29.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.204
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.241
H4	0.000	1.021	-3.607
H5	0.885	-0.511	-3.607
H6	-0.885	-0.511	-3.607

	C1	Mg2	Br3	H4	H5	H6
C1		2.0884	4.4448	1.0979	1.0979	1.0979
Mg2	2.0884		2.3563	2.6924	2.6924	2.6924
Br3	4.4448	2.3563		4.9540	4.9540	4.9540
H4	1.0979	2.6924	4.9540		1.7691	1.7691
H5	1.0979	2.6924	4.9540	1.7691		1.7691
H6	1.0979	2.6924	4.9540	1.7691	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.521
Mg2	C1	H5	111.521	Mg2	C1	H6	111.521
H4	C1	H5	107.346	H4	C1	H6	107.346
H5	C1	H6	107.346

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

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

States and conformations

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