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	hartrees
Energy at 0K	-278.291270
Energy at 298.15K	-278.292297
HF Energy	-278.291270
Nuclear repulsion energy	136.316450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1849	1828	372.68
2	A₁	1081	1069	104.90
3	A₁	823	814	124.52
4	A₁	700	692	89.42
5	B₁	740	731	23.26
6	B₁	287	284	70.32
7	B₂	1174	1161	388.08
8	B₂	674	667	95.64
9	B₂	540	534	3.63

Atom	y (Å)	z (Å)
C1	0.000	0.336
O2	0.000	1.539
Be3	0.000	-1.492
O4	1.124	-0.522
O5	-1.124	-0.522

	C1	O2	Be3	O4	O5
C1		1.2032	1.8280	1.4137	1.4137
O2	1.2032		3.0312	2.3473	2.3473
Be3	1.8280	3.0312		1.4847	1.4847
O4	1.4137	2.3473	1.4847		2.2475
O5	1.4137	2.3473	1.4847	2.2475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.163	C1	O5	Be3	78.163
O2	C1	O4	127.352	O2	C1	O5	127.352
O4	C1	O5	105.296	O4	Be3	O5	98.379

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

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

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	-0.391
3	Be	0.445
4	O	-0.322
5	O	-0.322

	x	y	z	Total
	0.000	0.000	-6.370	6.370
CHELPG
AIM
ESP

<r²>	68.530
(<r²>)^1/2	8.278

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

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

States and conformations

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