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	hartrees
Energy at 0K	-166.400488
Energy at 298.15K	-166.401922
HF Energy	-166.400488
Nuclear repulsion energy	48.643837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3869	3826	21.21
2	A	726	717	1.81
3	A	551	545	79.04
4	A	311	307	23.16
5	A	201	199	113.88
6	B	3868	3825	161.58
7	B	1497	1480	383.85
8	B	545	539	301.61
9	B	307	304	62.37

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.006
O2	0.000	1.435	-0.056
O3	0.000	-1.435	-0.056
H4	0.542	2.057	0.437
H5	-0.542	-2.057	0.437

	Be1	O2	O3	H4	H5
Be1		1.4360	1.4360	2.1706	2.1706
O2	1.4360		2.8692	0.9614	3.5679
O3	1.4360	2.8692		3.5679	0.9614
H4	2.1706	0.9614	3.5679		4.2550
H5	2.1706	3.5679	0.9614	4.2550

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.674		Be1	O3	H5	128.674
O2	Be1	O3	175.021

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

using model chemistry: PBEPBEultrafine/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	0.437
2	O	-0.323
3	O	-0.323
4	H	0.105
5	H	0.105

	x	y	z	Total
	0.000	0.000	1.613	1.613
CHELPG
AIM
ESP

	x	y	z
x	3.473	0.043	0.000
y	0.043	4.661	0.000
z	0.000	0.000	3.475

<r²>	52.418
(<r²>)^1/2	7.240

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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