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	hartrees
Energy at 0K	-2811.996360
Energy at 298.15K
HF Energy	-2811.675769
Nuclear repulsion energy	165.473401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3024	2888	25.70
2	A₁	1227	1172	0.22
3	A₁	613	585	76.93
4	A₁	306	292	15.22
5	E	3106	2967	15.20
5	E	3106	2967	15.20
6	E	1493	1426	0.35
6	E	1493	1426	0.35
7	E	608	581	90.68
7	E	608	581	90.68
8	E	109	104	29.50
8	E	109	104	29.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.202
Mg2	0.000	0.000	-1.115
Br3	0.000	0.000	1.241
H4	0.000	1.019	-3.610
H5	0.882	-0.509	-3.610
H6	-0.882	-0.509	-3.610

	C1	Mg2	Br3	H4	H5	H6
C1		2.0862	4.4422	1.0975	1.0975	1.0975
Mg2	2.0862		2.3560	2.6943	2.6943	2.6943
Br3	4.4422	2.3560		4.9562	4.9562	4.9562
H4	1.0975	2.6943	4.9562		1.7647	1.7647
H5	1.0975	2.6943	4.9562	1.7647		1.7647
H6	1.0975	2.6943	4.9562	1.7647	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.828
Mg2	C1	H5	111.828	Mg2	C1	H6	111.828
H4	C1	H5	107.015	H4	C1	H6	107.015
H5	C1	H6	107.015

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

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

States and conformations

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