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	hartrees
Energy at 0K	-166.147306
Energy at 298.15K	-166.148650
HF Energy	-165.674365
Nuclear repulsion energy	48.088341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3945	3857
2	A	690	675
3	A	571	559
4	A	279	273
5	A	197	193
6	B	3944	3857
7	B	1449	1417
8	B	569	556
9	B	262	256

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.020
O2	0.000	1.457	-0.058
O3	0.000	-1.457	-0.058
H4	0.578	2.050	0.426
H5	-0.578	-2.050	0.426

	Be1	O2	O3	H4	H5
Be1		1.4593	1.4593	2.1687	2.1687
O2	1.4593		2.9145	0.9595	3.5877
O3	1.4593	2.9145		3.5877	0.9595
H4	2.1687	0.9595	3.5877		4.2605
H5	2.1687	3.5877	0.9595	4.2605

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	126.178		Be1	O3	H5	126.178
O2	Be1	O3	173.899

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

using model chemistry: QCISD(T)/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for Be(OH)2 (Beryllium hydroxide)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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