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	hartrees
Energy at 0K	-2812.046398
Energy at 298.15K
HF Energy	-2811.688088
Nuclear repulsion energy	165.075168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3032	2926
2	A₁	1160	1120
3	A₁	607	586
4	A₁	306	295
5	E	3127	3017
5	E	3126	3017
6	E	1445	1395
6	E	1445	1395
7	E	577	557
7	E	577	556
8	E	104	101
8	E	104	101

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-3.210
Mg2	0.000	0.000	-1.116
Br3	0.000	0.000	1.243
H4	0.000	1.030	-3.618
H5	0.892	-0.515	-3.618
H6	-0.892	-0.515	-3.618

	C1	Mg2	Br3	H4	H5	H6
C1		2.0944	4.4533	1.1077	1.1077	1.1077
Mg2	2.0944		2.3589	2.7059	2.7059	2.7059
Br3	4.4533	2.3589		4.9691	4.9691	4.9691
H4	1.1077	2.7059	4.9691		1.7839	1.7839
H5	1.1077	2.7059	4.9691	1.7839		1.7839
H6	1.1077	2.7059	4.9691	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	Mg2	Br3	180.000	Mg2	C1	H4	111.604
Mg2	C1	H5	111.604	Mg2	C1	H6	111.604
H4	C1	H5	107.257	H4	C1	H6	107.257
H5	C1	H6	107.257

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

using model chemistry: MP4=FULL/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=FULL/cc-pVDZ

States and conformations

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