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	hartrees
Energy at 0K	-166.146616
Energy at 298.15K	-166.147960
HF Energy	-165.674413
Nuclear repulsion energy	48.102038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3949	3801
2	A	692	666
3	A	571	550
4	A	279	269
5	A	197	189
6	B	3948	3800
7	B	1451	1397
8	B	569	547
9	B	262	252

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.019
O2	0.000	1.457	-0.058
O3	0.000	-1.457	-0.058
H4	0.579	2.050	0.425
H5	-0.579	-2.050	0.425

	Be1	O2	O3	H4	H5
Be1		1.4588	1.4588	2.1687	2.1687
O2	1.4588		2.9136	0.9593	3.5871
O3	1.4588	2.9136		3.5871	0.9593
H4	2.1687	0.9593	3.5871		4.2605
H5	2.1687	3.5871	0.9593	4.2605

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	126.247		Be1	O3	H5	126.247
O2	Be1	O3	173.994

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

using model chemistry: CCSD(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: CCSD(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)