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	hartrees
Energy at 0K	-166.402970
Energy at 298.15K	-166.404420
HF Energy	-166.402970
Nuclear repulsion energy	49.050238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4025	3870	25.91
2	A	748	719	1.70
3	A	549	528	92.20
4	A	320	308	34.39
5	A	194	186	127.79
6	B	4023	3868	196.08
7	B	1544	1485	419.64
8	B	545	524	329.41
9	B	314	301	71.31

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.001
O2	0.000	1.423	-0.052
O3	0.000	-1.423	-0.052
H4	0.538	2.053	0.415
H5	-0.538	-2.053	0.415

	Be1	O2	O3	H4	H5
Be1		1.4242	1.4242	2.1630	2.1630
O2	1.4242		2.8467	0.9507	3.5488
O3	1.4242	2.8467		3.5488	0.9507
H4	2.1630	0.9507	3.5488		4.2450
H5	2.1630	3.5488	0.9507	4.2450

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.157		Be1	O3	H5	130.157
O2	Be1	O3	175.953

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	0.535
2	O	-0.374
3	O	-0.374
4	H	0.106
5	H	0.106

	x	y	z	Total
	0.000	0.000	1.584	1.584
CHELPG
AIM
ESP

	x	y	z
x	3.152	0.053	0.000
y	0.053	4.176	0.000
z	0.000	0.000	3.148

<r²>	51.627
(<r²>)^1/2	7.185

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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