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	hartrees
Energy at 0K	-278.652547
Energy at 298.15K	-278.653663
HF Energy	-278.652547
Nuclear repulsion energy	137.930498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1922	1857	407.71
2	A₁	1113	1076	120.17
3	A₁	861	832	146.22
4	A₁	733	708	79.18
5	B₁	785	758	35.85
6	B₁	296	286	75.32
7	B₂	1203	1163	414.98
8	B₂	685	662	79.62
9	B₂	573	554	3.44

Atom	y (Å)	z (Å)
C1	0.000	0.340
O2	0.000	1.523
Be3	0.000	-1.487
O4	1.105	-0.517
O5	-1.105	-0.517

	C1	O2	Be3	O4	O5
C1		1.1833	1.8270	1.3981	1.3981
O2	1.1833		3.0102	2.3199	2.3199
Be3	1.8270	3.0102		1.4707	1.4707
O4	1.3981	2.3199	1.4707		2.2100
O5	1.3981	2.3199	1.4707	2.2100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.071	C1	O5	Be3	79.071
O2	C1	O4	127.780	O2	C1	O5	127.780
O4	C1	O5	104.440	O4	Be3	O5	97.418

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

using model chemistry: B3LYP/6-311G*

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	0.590
2	O	-0.289
3	Be	0.431
4	O	-0.366
5	O	-0.366

	x	y	z	Total
	0.000	0.000	-6.319	6.319
CHELPG
AIM
ESP

<r²>	66.956
(<r²>)^1/2	8.183

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

using model chemistry: B3LYP/6-311G*

States and conformations

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