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	hartrees
Energy at 0K	-166.471407
Energy at 298.15K
HF Energy	-166.471407
Nuclear repulsion energy	49.014411

	hartrees
Energy at 0K	-166.471408
Energy at 298.15K
HF Energy	-166.471408
Nuclear repulsion energy	49.010174

	hartrees
Energy at 0K	-166.471408
Energy at 298.15K	-166.472259
HF Energy	-166.471408
Nuclear repulsion energy	49.011241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4175	4175	0.00
2	Σ_g	785	785	0.00
3	Σ_u	4174	4174	395.52
4	Σ_u	1671	1671	448.01
5	Π_g	197	197	0.00
5	Π_g	197	197	0.00
6	Π_u	427	427	156.50
6	Π_u	427	427	156.50
7	Π_u	209	209	486.45
7	Π_u	209	209	486.45

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
O2	0.000	0.000	1.414
O3	0.000	0.000	-1.414
H4	0.000	0.000	2.361
H5	0.000	0.000	-2.361

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

using model chemistry: wB97X-D/SDD

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

	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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	Be1	O2	O3	H4	H5
Be1		1.4141	1.4141	2.3613	2.3613
O2	1.4141		2.8281	0.9473	3.7754
O3	1.4141	2.8281		3.7754	0.9473
H4	2.3613	0.9473	3.7754		4.7226
H5	2.3613	3.7754	0.9473	4.7226

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	180.000		Be1	O3	H5	180.000
O2	Be1	O3	180.000

Number	Element	Mulliken
1	Be	0.652
2	O	-0.729
3	O	-0.729
4	H	0.403
5	H	0.403

<r²>	51.837
(<r²>)^1/2	7.200

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

using model chemistry: wB97X-D/SDD

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

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