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	hartrees
Energy at 0K	-2812.048712
Energy at 298.15K
HF Energy	-2811.693372
Nuclear repulsion energy	164.127371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3021	2914	27.60
2	A₁	1159	1118	1.86
3	A₁	600	579	82.69
4	A₁	296	285	14.17
5	E	3109	2999	17.27
5	E	3109	2999	17.27
6	E	1438	1387	0.25
6	E	1438	1387	0.25
7	E	566	546	73.29
7	E	566	546	73.29
8	E	106	102	30.21
8	E	106	102	30.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.226
Mg2	0.000	0.000	-1.126
Br3	0.000	0.000	1.251
H4	0.000	1.029	-3.633
H5	0.891	-0.514	-3.633
H6	-0.891	-0.514	-3.633

	C1	Mg2	Br3	H4	H5	H6
C1		2.1000	4.4771	1.1062	1.1062	1.1062
Mg2	2.1000		2.3771	2.7094	2.7094	2.7094
Br3	4.4771	2.3771		4.9909	4.9909	4.9909
H4	1.1062	2.7094	4.9909		1.7819	1.7819
H5	1.1062	2.7094	4.9909	1.7819		1.7819
H6	1.1062	2.7094	4.9909	1.7819	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.563
Mg2	C1	H5	111.563	Mg2	C1	H6	111.563
H4	C1	H5	107.300	H4	C1	H6	107.300
H5	C1	H6	107.300

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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