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	hartrees
Energy at 0K	-350.576568
Energy at 298.15K
HF Energy	-350.576568
Nuclear repulsion energy	83.316369

	hartrees
Energy at 0K	-350.576568
Energy at 298.15K	-350.579153
HF Energy	-350.576568
Nuclear repulsion energy	83.303135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4315	3885	0.00
2	Σ_g	646	581	0.00
3	Σ_u	4315	3885	159.83
4	Σ_u	971	874	168.46
5	Π_g	512	461	0.00
5	Π_g	512	461	0.00
6	Π_u	530	477	691.83
6	Π_u	530	477	691.83
7	Π_u	155	140	62.16
7	Π_u	155	140	62.16

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
O2	0.000	0.000	1.755
O3	0.000	0.000	-1.755
H4	0.000	0.000	2.693
H5	0.000	0.000	-2.693

	Mg1	O2	O3	H4	H5
Mg1		1.7545	1.7545	2.6927	2.6927
O2	1.7545		3.5091	0.9382	4.4472
O3	1.7545	3.5091		4.4472	0.9382
H4	2.6927	0.9382	4.4472		5.3854
H5	2.6927	4.4472	0.9382	5.3854

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

using model chemistry: HF/SDD

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	1.597
2	O	-1.209
3	O	-1.209
4	H	0.410
5	H	0.410

<r²>	76.169
(<r²>)^1/2	8.727

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

using model chemistry: HF/SDD

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)