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	hartrees
Energy at 0K	-33.379313
Energy at 298.15K
HF Energy	-33.379313
Nuclear repulsion energy	21.569233

	hartrees
Energy at 0K	-33.379316
Energy at 298.15K	-33.381718
HF Energy	-33.379316
Nuclear repulsion energy	21.570074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4335	3908	0.00
2	Σ_g	587	529	0.00
3	Σ_u	4334	3907	156.40
4	Σ_u	934	842	148.16
5	Π_g	471	424	0.00
5	Π_g	471	424	0.00
6	Π_u	504	454	624.74
6	Π_u	504	454	624.74
7	Π_u	142	128	71.67
7	Π_u	142	128	71.67

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
O2	0.000	0.000	1.772
O3	0.000	0.000	-1.772
H4	0.000	0.000	2.715
H5	0.000	0.000	-2.715

	Mg1	O2	O3	H4	H5
Mg1		1.7724	1.7724	2.7148	2.7148
O2	1.7724		3.5447	0.9425	4.4872
O3	1.7724	3.5447		4.4872	0.9425
H4	2.7148	0.9425	4.4872		5.4297
H5	2.7148	4.4872	0.9425	5.4297

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

using model chemistry: HF/CEP-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	1.480
2	O	-1.115
3	O	-1.115
4	H	0.374
5	H	0.374

<r²>	63.942
(<r²>)^1/2	7.996

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

using model chemistry: HF/CEP-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)