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	hartrees
Energy at 0K	-2809.769461
Energy at 298.15K
HF Energy	-2809.364658
Nuclear repulsion energy	166.336134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3051	3051
2	A₁	1193	1193
3	A₁	615	615
4	A₁	309	309
5	E	3135	3135
5	E	3134	3134
6	E	1477	1477
6	E	1477	1477
7	E	580	580
7	E	580	580
8	E	116	116
8	E	115	115

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.187
Mg2	0.000	0.000	-1.107
Br3	0.000	0.000	1.234
H4	0.000	1.017	-3.594
H5	0.881	-0.509	-3.594
H6	-0.881	-0.509	-3.594

	C1	Mg2	Br3	H4	H5	H6
C1		2.0805	4.4214	1.0958	1.0958	1.0958
Mg2	2.0805		2.3408	2.6874	2.6874	2.6874
Br3	4.4214	2.3408		4.9343	4.9343	4.9343
H4	1.0958	2.6874	4.9343		1.7623	1.7623
H5	1.0958	2.6874	4.9343	1.7623		1.7623
H6	1.0958	2.6874	4.9343	1.7623	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.796
Mg2	C1	H5	111.796	Mg2	C1	H6	111.796
H4	C1	H5	107.049	H4	C1	H6	107.049
H5	C1	H6	107.049

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

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