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	hartrees
Energy at 0K	-166.157039
Energy at 298.15K	-166.158335
HF Energy	-165.675182
Nuclear repulsion energy	48.627595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3969	3850
2	A	690	669
3	A	536	520
4	A	281	273
5	A	198	192
6	B	3968	3849
7	B	1471	1427
8	B	533	517
9	B	259	251

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.026
O2	0.000	1.436	-0.057
O3	0.000	-1.436	-0.057
H4	0.560	2.061	0.404
H5	-0.560	-2.061	0.404

	Be1	O2	O3	H4	H5
Be1		1.4383	1.4383	2.1691	2.1691
O2	1.4383		2.8718	0.9575	3.5717
O3	1.4383	2.8718		3.5717	0.9575
H4	2.1691	0.9575	3.5717		4.2720
H5	2.1691	3.5717	0.9575	4.2720

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.620		Be1	O3	H5	128.620
O2	Be1	O3	173.339

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

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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