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	hartrees
Energy at 0K	-2809.521406
Energy at 298.15K
HF Energy	-2809.201136
Nuclear repulsion energy	165.391151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3089	2911	34.11
2	A₁	1216	1146	1.22
3	A₁	611	576	75.91
4	A₁	302	285	16.25
5	E	3183	2999	15.58
5	E	3183	2999	15.58
6	E	1500	1413	0.05
6	E	1500	1413	0.05
7	E	613	577	81.43
7	E	613	577	81.43
8	E	159	149	28.51
8	E	159	149	28.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.205
Mg2	0.000	0.000	-1.118
Br3	0.000	0.000	1.241
H4	0.000	1.018	-3.601
H5	0.882	-0.509	-3.601
H6	-0.882	-0.509	-3.601

	C1	Mg2	Br3	H4	H5	H6
C1		2.0865	4.4462	1.0924	1.0924	1.0924
Mg2	2.0865		2.3597	2.6832	2.6832	2.6832
Br3	4.4462	2.3597		4.9481	4.9481	4.9481
H4	1.0924	2.6832	4.9481		1.7634	1.7634
H5	1.0924	2.6832	4.9481	1.7634		1.7634
H6	1.0924	2.6832	4.9481	1.7634	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.255
Mg2	C1	H5	111.255	Mg2	C1	H6	111.255
H4	C1	H5	107.630	H4	C1	H6	107.630
H5	C1	H6	107.630

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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