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	hartrees
Energy at 0K	-348.657228
Energy at 298.15K
HF Energy	-348.657228
Nuclear repulsion energy	85.561038

	hartrees
Energy at 0K	-348.660554
Energy at 298.15K	-348.662730
HF Energy	-348.660554
Nuclear repulsion energy	84.674154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4068	3672	0.00
2	Σ_g	710	641	0.00
3	Σ_u	4069	3673	93.60
4	Σ_u	1068	964	142.77
5	Π_g	354	319	0.00
5	Π_g	354	319	0.00
6	Π_u	374	337	482.64
6	Π_u	374	337	482.64
7	Π_u	185	167	16.66
7	Π_u	185	167	16.66

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
O2	0.000	0.000	1.718
O3	0.000	0.000	-1.718
H4	0.000	0.000	2.669
H5	0.000	0.000	-2.669

	Mg1	O2	O3	H4	H5
Mg1		1.7183	1.7183	2.6694	2.6694
O2	1.7183		3.4365	0.9511	4.3876
O3	1.7183	3.4365		4.3876	0.9511
H4	2.6694	0.9511	4.3876		5.3387
H5	2.6694	4.3876	0.9511	5.3387

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

using model chemistry: HF/3-21G*

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	0.950
2	O	-0.851
3	O	-0.851
4	H	0.376
5	H	0.376

<r²>	72.834
(<r²>)^1/2	8.534

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

using model chemistry: HF/3-21G*

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)