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	hartrees
Energy at 0K	-278.168640
Energy at 298.15K	-278.169421
HF Energy	-278.168640
Nuclear repulsion energy	132.688466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1805	1780	262.50
2	A₁	1014	1000	103.24
3	A₁	746	736	82.86
4	A₁	643	634	104.64
5	B₁	679	669	23.08
6	B₁	267	263	76.00
7	B₂	1066	1051	264.87
8	B₂	546	538	46.58
9	B₂	489	482	47.05

Atom	y (Å)	z (Å)
C1	0.000	0.362
O2	0.000	1.578
Be3	0.000	-1.544
O4	1.152	-0.539
O5	-1.152	-0.539

	C1	O2	Be3	O4	O5
C1		1.2158	1.9064	1.4621	1.4621
O2	1.2158		3.1222	2.4097	2.4097
Be3	1.9064	3.1222		1.5288	1.5288
O4	1.4621	2.4097	1.5288		2.3033
O5	1.4621	2.4097	1.5288	2.3033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.159	C1	O5	Be3	79.159
O2	C1	O4	128.035	O2	C1	O5	128.035
O4	C1	O5	103.931	O4	Be3	O5	97.751

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	0.559
2	O	-0.318
3	Be	0.676
4	O	-0.458
5	O	-0.458

	x	y	z	Total
	0.000	0.000	-6.038	6.038
CHELPG
AIM
ESP

<r²>	71.584
(<r²>)^1/2	8.461

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)