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	hartrees
Energy at 0K	-2812.141100
Energy at 298.15K
HF Energy	-2811.717225
Nuclear repulsion energy	164.452897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2916	34.35
2	A₁	1233	1178	1.11
3	A₁	590	564	69.76
4	A₁	292	279	16.93
5	E	3133	2993	21.27
5	E	3133	2993	21.27
6	E	1446	1382	0.57
6	E	1446	1382	0.57
7	E	609	581	80.29
7	E	609	581	80.29
8	E	103	99	38.30
8	E	103	99	38.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.218
Mg2	0.000	0.000	-1.128
Br3	0.000	0.000	1.249
H4	0.000	1.014	-3.626
H5	0.878	-0.507	-3.626
H6	-0.878	-0.507	-3.626

	C1	Mg2	Br3	H4	H5	H6
C1		2.0908	4.4675	1.0931	1.0931	1.0931
Mg2	2.0908		2.3767	2.6962	2.6962	2.6962
Br3	4.4675	2.3767		4.9793	4.9793	4.9793
H4	1.0931	2.6962	4.9793		1.7568	1.7568
H5	1.0931	2.6962	4.9793	1.7568		1.7568
H6	1.0931	2.6962	4.9793	1.7568	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.883
Mg2	C1	H5	111.883	Mg2	C1	H6	111.883
H4	C1	H5	106.956	H4	C1	H6	106.956
H5	C1	H6	106.956

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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