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	hartrees
Energy at 0K	-2812.025497
Energy at 298.15K
HF Energy	-2811.688078
Nuclear repulsion energy	164.944424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3032	2909	25.33
2	A₁	1170	1122	4.16
3	A₁	604	580	73.43
4	A₁	304	291	12.80
5	E	3121	2994	17.06
5	E	3121	2994	17.06
6	E	1451	1392	0.10
6	E	1451	1392	0.10
7	E	578	555	83.30
7	E	578	555	83.30
8	E	104	100	27.80
8	E	104	100	27.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.212
Mg2	0.000	0.000	-1.118
Br3	0.000	0.000	1.244
H4	0.000	1.030	-3.620
H5	0.892	-0.515	-3.620
H6	-0.892	-0.515	-3.620

	C1	Mg2	Br3	H4	H5	H6
C1		2.0941	4.4558	1.1080	1.1080	1.1080
Mg2	2.0941		2.3617	2.7059	2.7059	2.7059
Br3	4.4558	2.3617		4.9718	4.9718	4.9718
H4	1.1080	2.7059	4.9718		1.7842	1.7842
H5	1.1080	2.7059	4.9718	1.7842		1.7842
H6	1.1080	2.7059	4.9718	1.7842	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.612
Mg2	C1	H5	111.612	Mg2	C1	H6	111.612
H4	C1	H5	107.249	H4	C1	H6	107.249
H5	C1	H6	107.249

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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