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	hartrees
Energy at 0K	-2812.289533
Energy at 298.15K
HF Energy	-2811.786398
Nuclear repulsion energy	165.674345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3010	3010
2	A₁	1157	1157
3	A₁	606	606
4	A₁	302	302
5	E	3094	3094
5	E	3094	3094
6	E	1457	1457
6	E	1457	1457
7	E	571	571
7	E	571	571
8	E	104	104
8	E	103	103

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.200
Mg2	0.000	0.000	-1.114
Br3	0.000	0.000	1.239
H4	0.000	1.019	-3.600
H5	0.883	-0.510	-3.600
H6	-0.883	-0.510	-3.600

	C1	Mg2	Br3	H4	H5	H6
C1		2.0855	4.4387	1.0951	1.0951	1.0951
Mg2	2.0855		2.3532	2.6870	2.6870	2.6870
Br3	4.4387	2.3532		4.9456	4.9456	4.9456
H4	1.0951	2.6870	4.9456		1.7652	1.7652
H5	1.0951	2.6870	4.9456	1.7652		1.7652
H6	1.0951	2.6870	4.9456	1.7652	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.466
Mg2	C1	H5	111.466	Mg2	C1	H6	111.466
H4	C1	H5	107.405	H4	C1	H6	107.405
H5	C1	H6	107.405

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

using model chemistry: MP4/daug-cc-pVTZ

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/daug-cc-pVTZ

States and conformations

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