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	hartrees
Energy at 0K	-351.777331
Energy at 298.15K	-351.778978
HF Energy	-351.777331
Nuclear repulsion energy	81.397332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3851	3695	4.29
2	A	597	573	13.95
3	A	426	408	43.45
4	A	144	138	5.35
5	A	124	119	166.55
6	B	3851	3695	50.37
7	B	874	839	72.35
8	B	432	415	259.50
9	B	139	134	55.93

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.006
O2	0.000	1.777	0.023
O3	0.000	-1.777	0.023
H4	-0.401	2.612	-0.221
H5	0.401	-2.612	-0.221

	Mg1	O2	O3	H4	H5
Mg1		1.7767	1.7767	2.6519	2.6519
O2	1.7767		3.5532	0.9580	4.4132
O3	1.7767	3.5532		4.4132	0.9580
H4	2.6519	0.9580	4.4132		5.2844
H5	2.6519	4.4132	0.9580	5.2844

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Mg1	O2	H4	150.338		Mg1	O3	H5	150.338
O2	Mg1	O3	178.842

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

using model chemistry: TPSSh/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Mg	1.001
2	O	-0.893
3	O	-0.893
4	H	0.393
5	H	0.393

	x	y	z	Total
	0.000	0.000	-1.567	1.567
CHELPG
AIM
ESP

	x	y	z
x	3.267	0.085	0.000
y	0.085	4.738	0.000
z	0.000	0.000	3.300

<r²>	78.372
(<r²>)^1/2	8.853

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

using model chemistry: TPSSh/6-31G*

States and conformations

Conformer 1 (C2H)

Conformer 2 (C2)

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