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	hartrees
Energy at 0K	-2809.531028
Energy at 298.15K
HF Energy	-2809.201080
Nuclear repulsion energy	165.231857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3062	2938
2	A₁	1197	1149
3	A₁	606	581
4	A₁	300	288
5	E	3155	3028
5	E	3155	3028
6	E	1487	1427
6	E	1487	1426
7	E	607	583
7	E	607	583
8	E	157	151
8	E	157	150

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.209
Mg2	0.000	0.000	-1.119
Br3	0.000	0.000	1.242
H4	0.000	1.021	-3.602
H5	0.884	-0.511	-3.602
H6	-0.884	-0.511	-3.602

	C1	Mg2	Br3	H4	H5	H6
C1		2.0897	4.4512	1.0944	1.0944	1.0944
Mg2	2.0897		2.3615	2.6851	2.6851	2.6851
Br3	4.4512	2.3615		4.9513	4.9513	4.9513
H4	1.0944	2.6851	4.9513		1.7688	1.7688
H5	1.0944	2.6851	4.9513	1.7688		1.7688
H6	1.0944	2.6851	4.9513	1.7688	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.078
Mg2	C1	H5	111.078	Mg2	C1	H6	111.078
H4	C1	H5	107.818	H4	C1	H6	107.818
H5	C1	H6	107.818

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31+G**

States and conformations

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