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	hartrees
Energy at 0K	-278.617085
Energy at 298.15K	-278.618206
HF Energy	-278.617085
Nuclear repulsion energy	137.292667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1885	1830	429.38
2	A₁	1097	1064	118.07
3	A₁	853	828	150.99
4	A₁	720	699	83.61
5	B₁	774	751	31.60
6	B₁	297	288	74.23
7	B₂	1196	1160	426.93
8	B₂	709	688	75.02
9	B₂	561	545	3.44

Atom	y (Å)	z (Å)
C1	0.000	0.339
O2	0.000	1.530
Be3	0.000	-1.500
O4	1.109	-0.517
O5	-1.109	-0.517

	C1	O2	Be3	O4	O5
C1		1.1911	1.8386	1.4010	1.4010
O2	1.1911		3.0297	2.3282	2.3282
Be3	1.8386	3.0297		1.4820	1.4820
O4	1.4010	2.3282	1.4820		2.2185
O5	1.4010	2.3282	1.4820	2.2185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.191	C1	O5	Be3	79.191
O2	C1	O4	127.651	O2	C1	O5	127.651
O4	C1	O5	104.698	O4	Be3	O5	96.921

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	1.189
2	O	-0.363
3	Be	0.281
4	O	-0.553
5	O	-0.553

	x	y	z	Total
	0.000	0.000	-6.693	6.693
CHELPG
AIM
ESP

<r²>	67.702
(<r²>)^1/2	8.228

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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