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	hartrees
Energy at 0K	-166.419734
Energy at 298.15K	-166.421173
HF Energy	-166.419734
Nuclear repulsion energy	49.046705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4019	3866	25.59
2	A	746	718	1.66
3	A	545	524	92.96
4	A	320	307	33.36
5	A	192	184	128.07
6	B	4018	3864	197.22
7	B	1542	1483	420.67
8	B	541	520	328.81
9	B	313	301	70.80

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.000
O2	0.000	1.423	-0.051
O3	0.000	-1.423	-0.051
H4	0.535	2.057	0.413
H5	-0.535	-2.057	0.413

	Be1	O2	O3	H4	H5
Be1		1.4243	1.4243	2.1652	2.1652
O2	1.4243		2.8467	0.9505	3.5517
O3	1.4243	2.8467		3.5517	0.9505
H4	2.1652	0.9505	3.5517		4.2508
H5	2.1652	3.5517	0.9505	4.2508

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.434		Be1	O3	H5	130.434
O2	Be1	O3	175.895

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

using model chemistry: HSEh1PBE/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	0.555
2	O	-0.385
3	O	-0.385
4	H	0.108
5	H	0.108

	x	y	z	Total
	0.000	0.000	1.580	1.580
CHELPG
AIM
ESP

	x	y	z
x	3.157	0.053	0.000
y	0.053	4.189	0.000
z	0.000	0.000	3.153

<r²>	51.644
(<r²>)^1/2	7.186

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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