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	hartrees
Energy at 0K	-166.296757
Energy at 298.15K	-166.298193
HF Energy	-165.725070
Nuclear repulsion energy	48.718543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3977	3845
2	A	734	709
3	A	554	536
4	A	314	304
5	A	194	187
6	B	3976	3844
7	B	1519	1469
8	B	552	534
9	B	306	296

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.004
O2	0.000	1.435	-0.054
O3	0.000	-1.435	-0.054
H4	0.555	2.049	0.420
H5	-0.555	-2.049	0.420

	Be1	O2	O3	H4	H5
Be1		1.4362	1.4362	2.1635	2.1635
O2	1.4362		2.8700	0.9539	3.5599
O3	1.4362	2.8700		3.5599	0.9539
H4	2.1635	0.9539	3.5599		4.2462
H5	2.1635	3.5599	0.9539	4.2462

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.572		Be1	O3	H5	128.572
O2	Be1	O3	175.373

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

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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