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	hartrees
Energy at 0K	-166.345938
Energy at 298.15K	-166.347330
HF Energy	-165.725752
Nuclear repulsion energy	49.059557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4032	3886
2	A	751	724
3	A	511	492
4	A	324	312
5	A	194	187
6	B	4029	3882
7	B	1543	1487
8	B	497	479
9	B	312	300

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.014
O2	0.000	1.422	-0.053
O3	0.000	-1.422	-0.053
H4	0.518	2.078	0.397
H5	-0.518	-2.078	0.397

	Be1	O2	O3	H4	H5
Be1		1.4236	1.4236	2.1758	2.1758
O2	1.4236		2.8441	0.9493	3.5669
O3	1.4236	2.8441		3.5669	0.9493
H4	2.1758	0.9493	3.5669		4.2836
H5	2.1758	3.5669	0.9493	4.2836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.933		Be1	O3	H5	131.933
O2	Be1	O3	174.611

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

using model chemistry: CCSD(T)=FULL/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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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: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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