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	hartrees
Energy at 0K	-166.399763
Energy at 298.15K
HF Energy	-166.399763
Nuclear repulsion energy	49.305325

	hartrees
Energy at 0K	-166.401594
Energy at 298.15K	-166.403069
HF Energy	-166.401594
Nuclear repulsion energy	48.970989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4049	3888	24.66
2	A	747	717	0.95
3	A	521	500	150.24
4	A	349	335	17.18
5	A	198	190	180.93
6	B	4047	3886	231.01
7	B	1586	1523	446.03
8	B	514	494	400.78
9	B	340	327	82.52

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.003
O2	0.000	1.425	-0.048
O3	0.000	-1.425	-0.048
H4	0.513	2.095	0.389
H5	-0.513	-2.095	0.389

	Be1	O2	O3	H4	H5
Be1		1.4254	1.4254	2.1922	2.1922
O2	1.4254		2.8494	0.9503	3.5836
O3	1.4254	2.8494		3.5836	0.9503
H4	2.1922	0.9503	3.5836		4.3138
H5	2.1922	3.5836	0.9503	4.3138

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

using model chemistry: HSEh1PBE/TZVP

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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	133.663		Be1	O3	H5	133.663
O2	Be1	O3	176.364

Number	Element	Mulliken
1	Be	0.613
2	O	-0.614
3	O	-0.614
4	H	0.308
5	H	0.308

	x	y	z	Total
	0.000	0.000	1.752	1.752
CHELPG
AIM
ESP

	x	y	z
x	2.043	0.141	0.000
y	0.141	3.874	0.000
z	0.000	0.000	2.025

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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