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	hartrees
Energy at 0K	-276.719030
Energy at 298.15K	-276.719948
HF Energy	-276.548569
Nuclear repulsion energy	133.470146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1887	1887	250.44
2	A₁	1130	1130	130.77
3	A₁	769	769	82.07
4	A₁	671	671	99.63
5	B₁	713	713	34.93
6	B₁	283	283	77.98
7	B₂	1170	1170	202.02
8	B₂	595	595	73.43
9	B₂	511	511	35.34

Atom	y (Å)	z (Å)
C1	0.000	0.372
O2	0.000	1.573
Be3	0.000	-1.530
O4	1.141	-0.543
O5	-1.141	-0.543

	C1	O2	Be3	O4	O5
C1		1.2010	1.9014	1.4629	1.4629
O2	1.2010		3.1025	2.4043	2.4043
Be3	1.9014	3.1025		1.5085	1.5085
O4	1.4629	2.4043	1.5085		2.2828
O5	1.4629	2.4043	1.5085	2.2828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.553	C1	O5	Be3	79.553
O2	C1	O4	128.721	O2	C1	O5	128.721
O4	C1	O5	102.558	O4	Be3	O5	98.336

All results from a given calculation for BeCO₃ (Beryllium Carbonate)

using model chemistry: B2PLYP/3-21G*

States and conformations

	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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Number	Element	Mulliken
1	C	0.746
2	O	-0.433
3	Be	0.699
4	O	-0.506
5	O	-0.506

	x	y	z	Total
	0.000	0.000	-5.660	5.660
CHELPG
AIM
ESP

<r²>	70.921
(<r²>)^1/2	8.421

All results from a given calculation for BeCO3 (Beryllium Carbonate)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for BeCO₃ (Beryllium Carbonate)