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	hartrees
Energy at 0K	-166.159114
Energy at 298.15K	-166.160407
HF Energy	-165.675054
Nuclear repulsion energy	48.565903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3956	3858
2	A	684	667
3	A	536	523
4	A	281	274
5	A	197	192
6	B	3955	3857
7	B	1460	1424
8	B	531	518
9	B	260	254

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.031
O2	0.000	1.438	-0.059
O3	0.000	-1.438	-0.059
H4	0.552	2.064	0.411
H5	-0.552	-2.064	0.411

	Be1	O2	O3	H4	H5
Be1		1.4405	1.4405	2.1702	2.1702
O2	1.4405		2.8753	0.9584	3.5761
O3	1.4405	2.8753		3.5761	0.9584
H4	2.1702	0.9584	3.5761		4.2733
H5	2.1702	3.5761	0.9584	4.2733

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.433		Be1	O3	H5	128.433
O2	Be1	O3	172.812

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

using model chemistry: MP4=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: MP4=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)