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	hartrees
Energy at 0K	-348.850402
Energy at 298.15K
HF Energy	-348.597865
Nuclear repulsion energy	84.673466

	hartrees
Energy at 0K	-348.850818
Energy at 298.15K	-348.852235
HF Energy	-348.598218
Nuclear repulsion energy	84.277284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3873	3765	0.00
2	Σ_g	684	665	0.00
3	Σ_u	3873	3766	50.75
4	Σ_u	1041	1013	117.44
5	Π_g	262	254	0.00
5	Π_g	262	254	0.00
6	Π_u	256	249	431.10
6	Π_u	256	249	431.10
7	Π_u	106	103	47.17
7	Π_u	106	103	47.17

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.000
O2	0.000	0.000	1.724
O3	0.000	0.000	-1.724
H4	0.000	0.000	2.688
H5	0.000	0.000	-2.688

	Mg1	O2	O3	H4	H5
Mg1		1.7241	1.7241	2.6880	2.6880
O2	1.7241		3.4483	0.9639	4.4121
O3	1.7241	3.4483		4.4121	0.9639
H4	2.6880	0.9639	4.4121		5.3760
H5	2.6880	4.4121	0.9639	5.3760

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

using model chemistry: CCD/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

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

using model chemistry: CCD/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)