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	hartrees
Energy at 0K	-2812.201791
Energy at 298.15K
HF Energy	-2811.785638
Nuclear repulsion energy	166.329150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2873	21.60
2	A₁	1210	1121	0.02
3	A₁	623	577	88.42
4	A₁	309	287	14.51
5	E	3182	2948	15.59
5	E	3182	2948	15.59
6	E	1504	1393	0.03
6	E	1504	1393	0.03
7	E	586	543	77.71
7	E	586	543	77.71
8	E	104	96	32.97
8	E	104	96	32.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.187
Mg2	0.000	0.000	-1.111
Br3	0.000	0.000	1.235
H4	0.000	1.010	-3.587
H5	0.875	-0.505	-3.587
H6	-0.875	-0.505	-3.587

	C1	Mg2	Br3	H4	H5	H6
C1		2.0758	4.4211	1.0868	1.0868	1.0868
Mg2	2.0758		2.3453	2.6743	2.6743	2.6743
Br3	4.4211	2.3453		4.9261	4.9261	4.9261
H4	1.0868	2.6743	4.9261		1.7501	1.7501
H5	1.0868	2.6743	4.9261	1.7501		1.7501
H6	1.0868	2.6743	4.9261	1.7501	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.609
Mg2	C1	H5	111.609	Mg2	C1	H6	111.609
H4	C1	H5	107.251	H4	C1	H6	107.251
H5	C1	H6	107.251

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

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

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