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	hartrees
Energy at 0K	-278.459224
Energy at 298.15K	-278.460150
HF Energy	-278.459224
Nuclear repulsion energy	133.981615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1855	1784	314.04
2	A₁	1053	1013	137.47
3	A₁	787	757	117.29
4	A₁	679	653	89.95
5	B₁	714	687	41.60
6	B₁	279	269	83.68
7	B₂	1102	1060	330.39
8	B₂	609	586	62.22
9	B₂	526	506	14.30

Atom	y (Å)	z (Å)
C1	0.000	0.364
O2	0.000	1.570
Be3	0.000	-1.547
O4	1.130	-0.535
O5	-1.130	-0.535

	C1	O2	Be3	O4	O5
C1		1.2055	1.9116	1.4441	1.4441
O2	1.2055		3.1171	2.3887	2.3887
Be3	1.9116	3.1171		1.5175	1.5175
O4	1.4441	2.3887	1.5175		2.2604
O5	1.4441	2.3887	1.5175	2.2604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	80.357	C1	O5	Be3	80.357
O2	C1	O4	128.496	O2	C1	O5	128.496
O4	C1	O5	103.008	O4	Be3	O5	96.277

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

using model chemistry: B3LYP/6-31G

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	0.647
2	O	-0.343
3	Be	0.730
4	O	-0.517
5	O	-0.517

	x	y	z	Total
	0.000	0.000	-6.471	6.471
CHELPG
AIM
ESP

<r²>	70.520
(<r²>)^1/2	8.398

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

using model chemistry: B3LYP/6-31G

States and conformations

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