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	hartrees
Energy at 0K	-278.535299
Energy at 298.15K	-278.536266
HF Energy	-278.535299
Nuclear repulsion energy	135.757565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1852	1837	298.81
2	A₁	1076	1068	90.05
3	A₁	794	788	89.67
4	A₁	697	692	96.81
5	B₁	725	719	23.20
6	B₁	290	288	61.75
7	B₂	1169	1160	311.81
8	B₂	610	605	90.52
9	B₂	528	524	10.87

Atom	y (Å)	z (Å)
C1	0.000	0.342
O2	0.000	1.545
Be3	0.000	-1.488
O4	1.130	-0.529
O5	-1.130	-0.529

	C1	O2	Be3	O4	O5
C1		1.2029	1.8297	1.4267	1.4267
O2	1.2029		3.0325	2.3615	2.3615
Be3	1.8297	3.0325		1.4825	1.4825
O4	1.4267	2.3615	1.4825		2.2607
O5	1.4267	2.3615	1.4825	2.2607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.916	C1	O5	Be3	77.916
O2	C1	O4	127.600	O2	C1	O5	127.600
O4	C1	O5	104.800	O4	Be3	O5	99.368

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

using model chemistry: BLYP/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	0.753
2	O	-0.387
3	Be	0.365
4	O	-0.366
5	O	-0.366

	x	y	z	Total
	0.000	0.000	-5.672	5.672
CHELPG
AIM
ESP

<r²>	68.548
(<r²>)^1/2	8.279

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

using model chemistry: BLYP/6-31G**

States and conformations

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