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	hartrees
Energy at 0K	-350.522326
Energy at 298.15K
HF Energy	-350.522326
Nuclear repulsion energy	83.774291

	hartrees
Energy at 0K	-350.522338
Energy at 298.15K	-350.524747
HF Energy	-350.522338
Nuclear repulsion energy	83.696545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4295	3878	0.00
2	Σ_g	658	594	0.00
3	Σ_u	4295	3878	135.00
4	Σ_u	992	895	166.53
5	Π_g	472	426	0.00
5	Π_g	472	426	0.00
6	Π_u	492	444	656.41
6	Π_u	492	444	656.41
7	Π_u	132	120	56.72
7	Π_u	132	120	56.72

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
O2	0.000	0.000	1.746
O3	0.000	0.000	-1.746
H4	0.000	0.000	2.681
H5	0.000	0.000	-2.681

	Mg1	O2	O3	H4	H5
Mg1		1.7459	1.7459	2.6810	2.6810
O2	1.7459		3.4918	0.9351	4.4269
O3	1.7459	3.4918		4.4269	0.9351
H4	2.6810	0.9351	4.4269		5.3620
H5	2.6810	4.4269	0.9351	5.3620

All results from a given calculation for Mg(OH)₂ (Magnesium dihydroxide)

using model chemistry: HF/6-31G

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

Conformer 3 (D*H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Mg1	O2	H4	180.000		Mg1	O3	H5	180.000
O2	Mg1	O3	180.000

Number	Element	Mulliken
1	Mg	1.536
2	O	-1.180
3	O	-1.180
4	H	0.412
5	H	0.412

<r²>	75.308
(<r²>)^1/2	8.678

All results from a given calculation for Mg(OH)2 (Magnesium dihydroxide)

using model chemistry: HF/6-31G

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

Conformer 3 (D*H)

All results from a given calculation for Mg(OH)₂ (Magnesium dihydroxide)