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	hartrees
Energy at 0K	-278.276262
Energy at 298.15K	-278.277290
HF Energy	-278.276262
Nuclear repulsion energy	136.425056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1880	1854	305.00
2	A₁	1088	1073	89.24
3	A₁	824	813	104.58
4	A₁	708	698	84.84
5	B₁	739	729	21.99
6	B₁	287	283	64.12
7	B₂	1193	1176	332.80
8	B₂	666	657	87.15
9	B₂	542	535	1.96

Atom	y (Å)	z (Å)
C1	0.000	0.334
O2	0.000	1.536
Be3	0.000	-1.484
O4	1.126	-0.522
O5	-1.126	-0.522

	C1	O2	Be3	O4	O5
C1		1.2018	1.8181	1.4147	1.4147
O2	1.2018		3.0199	2.3462	2.3462
Be3	1.8181	3.0199		1.4805	1.4805
O4	1.4147	2.3462	1.4805		2.2517
O5	1.4147	2.3462	1.4805	2.2517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.764	C1	O5	Be3	77.764
O2	C1	O4	127.266	O2	C1	O5	127.266
O4	C1	O5	105.468	O4	Be3	O5	99.003

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

using model chemistry: PBEPBE/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	0.750
2	O	-0.388
3	Be	0.358
4	O	-0.360
5	O	-0.360

	x	y	z	Total
	0.000	0.000	-5.811	5.811
CHELPG
AIM
ESP

<r²>	67.897
(<r²>)^1/2	8.240

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

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

States and conformations

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