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	hartrees
Energy at 0K	-2812.014898
Energy at 298.15K
HF Energy	-2811.694331
Nuclear repulsion energy	164.610406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	3067	28.94
2	A₁	1183	1183	0.62
3	A₁	611	611	85.91
4	A₁	300	300	14.77
5	E	3151	3151	20.07
5	E	3151	3151	20.07
6	E	1468	1468	0.17
6	E	1468	1468	0.17
7	E	577	577	74.39
7	E	577	577	74.39
8	E	107	107	32.21
8	E	107	107	32.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.217
Mg2	0.000	0.000	-1.124
Br3	0.000	0.000	1.247
H4	0.000	1.024	-3.623
H5	0.887	-0.512	-3.623
H6	-0.887	-0.512	-3.623

	C1	Mg2	Br3	H4	H5	H6
C1		2.0931	4.4638	1.1014	1.1014	1.1014
Mg2	2.0931		2.3707	2.7008	2.7008	2.7008
Br3	4.4638	2.3707		4.9765	4.9765	4.9765
H4	1.1014	2.7008	4.9765		1.7731	1.7731
H5	1.1014	2.7008	4.9765	1.7731		1.7731
H6	1.1014	2.7008	4.9765	1.7731	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.643
Mg2	C1	H5	111.643	Mg2	C1	H6	111.643
H4	C1	H5	107.214	H4	C1	H6	107.214
H5	C1	H6	107.214

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

using model chemistry: CISD/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: CISD/daug-cc-pVDZ

States and conformations

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