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	hartrees
Energy at 0K	-2812.059983
Energy at 298.15K
HF Energy	-2811.693269
Nuclear repulsion energy	163.940047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3041	2971
2	A₁	1225	1197
3	A₁	610	596
4	A₁	307	300
5	E	3129	3057
5	E	3129	3057
6	E	1508	1473
6	E	1508	1473
7	E	616	602
7	E	616	602
8	E	125	122
8	E	125	122

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.231
Mg2	0.000	0.000	-1.127
Br3	0.000	0.000	1.252
H4	0.000	1.030	-3.638
H5	0.892	-0.515	-3.638
H6	-0.892	-0.515	-3.638

	C1	Mg2	Br3	H4	H5	H6
C1		2.1032	4.4826	1.1080	1.1080	1.1080
Mg2	2.1032		2.3794	2.7136	2.7136	2.7136
Br3	4.4826	2.3794		4.9971	4.9971	4.9971
H4	1.1080	2.7136	4.9971		1.7848	1.7848
H5	1.1080	2.7136	4.9971	1.7848		1.7848
H6	1.1080	2.7136	4.9971	1.7848	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.557
Mg2	C1	H5	111.557	Mg2	C1	H6	111.557
H4	C1	H5	107.307	H4	C1	H6	107.307
H5	C1	H6	107.307

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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