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	hartrees
Energy at 0K	-166.556302
Energy at 298.15K	-166.557633
HF Energy	-166.556302
Nuclear repulsion energy	48.592176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3965	3847	20.77
2	A	718	697	0.43
3	A	547	531	83.55
4	A	282	274	21.90
5	A	192	186	151.05
6	B	3963	3845	188.73
7	B	1507	1462	416.45
8	B	544	528	326.75
9	B	268	260	58.33

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.020
O2	0.000	1.437	-0.055
O3	0.000	-1.437	-0.055
H4	0.555	2.071	0.399
H5	-0.555	-2.071	0.399

	Be1	O2	O3	H4	H5
Be1		1.4393	1.4393	2.1775	2.1775
O2	1.4393		2.8748	0.9568	3.5810
O3	1.4393	2.8748		3.5810	0.9568
H4	2.1775	0.9568	3.5810		4.2884
H5	2.1775	3.5810	0.9568	4.2884

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.570		Be1	O3	H5	129.570
O2	Be1	O3	174.077

All results from a given calculation for Be(OH)₂ (Beryllium hydroxide)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

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	Be	-0.078
2	O	-0.040
3	O	-0.040
4	H	0.079
5	H	0.079

	x	y	z	Total
	0.000	0.000	1.629	1.629
CHELPG
AIM
ESP

	x	y	z
x	3.150	0.076	0.000
y	0.076	4.350	0.000
z	0.000	0.000	3.143

<r²>	52.596
(<r²>)^1/2	7.252

All results from a given calculation for Be(OH)2 (Beryllium hydroxide)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

All results from a given calculation for Be(OH)₂ (Beryllium hydroxide)