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	hartrees
Energy at 0K	-166.424352
Energy at 298.15K	-166.425754
HF Energy	-165.736142
Nuclear repulsion energy	49.128776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4021	3883
2	A	752	727
3	A	543	525
4	A	304	294
5	A	199	193
6	B	4020	3881
7	B	1557	1503
8	B	532	514
9	B	295	285

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.002
O2	0.000	1.421	-0.054
O3	0.000	-1.421	-0.054
H4	0.522	2.047	0.432
H5	-0.522	-2.047	0.432

	Be1	O2	O3	H4	H5
Be1		1.4224	1.4224	2.1555	2.1555
O2	1.4224		2.8427	0.9487	3.5405
O3	1.4224	2.8427		3.5405	0.9487
H4	2.1555	0.9487	3.5405		4.2243
H5	2.1555	3.5405	0.9487	4.2243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.669		Be1	O3	H5	129.669
O2	Be1	O3	175.482

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

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

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/cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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