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	hartrees
Energy at 0K	-166.296081
Energy at 298.15K	-166.297515
HF Energy	-165.725113
Nuclear repulsion energy	48.733694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3982	3862
2	A	735	713
3	A	554	537
4	A	314	305
5	A	193	187
6	B	3980	3860
7	B	1521	1476
8	B	552	535
9	B	306	297

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.004
O2	0.000	1.435	-0.053
O3	0.000	-1.435	-0.053
H4	0.555	2.049	0.420
H5	-0.555	-2.049	0.420

	Be1	O2	O3	H4	H5
Be1		1.4357	1.4357	2.1631	2.1631
O2	1.4357		2.8691	0.9536	3.5590
O3	1.4357	2.8691		3.5590	0.9536
H4	2.1631	0.9536	3.5590		4.2454
H5	2.1631	3.5590	0.9536	4.2454

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.602		Be1	O3	H5	128.602
O2	Be1	O3	175.420

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

using model chemistry: CCSD(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: CCSD(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)