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	hartrees
Energy at 0K	-166.503085
Energy at 298.15K	-166.504511
HF Energy	-166.312140
Nuclear repulsion energy	48.989679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3996	3834	22.86
2	A	746	715	1.37
3	A	531	509	93.27
4	A	322	309	26.88
5	A	194	187	137.61
6	B	3994	3832	203.48
7	B	1536	1473	421.87
8	B	525	503	328.81
9	B	314	301	68.48

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.007
O2	0.000	1.424	-0.052
O3	0.000	-1.424	-0.052
H4	0.532	2.072	0.399
H5	-0.532	-2.072	0.399

	Be1	O2	O3	H4	H5
Be1		1.4256	1.4256	2.1747	2.1747
O2	1.4256		2.8487	0.9515	3.5651
O3	1.4256	2.8487		3.5651	0.9515
H4	2.1747	0.9515	3.5651		4.2779
H5	2.1747	3.5651	0.9515	4.2779

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.334		Be1	O3	H5	131.334
O2	Be1	O3	175.286

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

using model chemistry: B2PLYP=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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HF vs MP2 Bad vib. Calc. vs exp. 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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: B2PLYP=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)