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	hartrees
Energy at 0K	-166.424900
Energy at 298.15K	-166.426300
HF Energy	-165.736120
Nuclear repulsion energy	49.120301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4018	4018
2	A	752	752
3	A	544	544
4	A	304	304
5	A	199	199
6	B	4016	4016
7	B	1556	1556
8	B	532	532
9	B	294	294

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.002
O2	0.000	1.422	-0.055
O3	0.000	-1.422	-0.055
H4	0.522	2.046	0.433
H5	-0.522	-2.046	0.433

	Be1	O2	O3	H4	H5
Be1		1.4228	1.4228	2.1550	2.1550
O2	1.4228		2.8432	0.9488	3.5403
O3	1.4228	2.8432		3.5403	0.9488
H4	2.1550	0.9488	3.5403		4.2230
H5	2.1550	3.5403	0.9488	4.2230

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.557		Be1	O3	H5	129.557
O2	Be1	O3	175.421

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

using model chemistry: QCISD(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: QCISD(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)