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	hartrees
Energy at 0K	-278.460046
Energy at 298.15K	-278.461201
HF Energy	-278.460046
Nuclear repulsion energy	137.953234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1952	1867	381.37
2	A₁	1132	1083	118.59
3	A₁	886	848	146.00
4	A₁	744	711	73.26
5	B₁	788	754	36.08
6	B₁	297	284	72.92
7	B₂	1249	1195	416.39
8	B₂	761	728	64.52
9	B₂	574	549	1.07

Atom	y (Å)	z (Å)
C1	0.000	0.332
O2	0.000	1.523
Be3	0.000	-1.484
O4	1.106	-0.515
O5	-1.106	-0.515

	C1	O2	Be3	O4	O5
C1		1.1911	1.8162	1.3935	1.3935
O2	1.1911		3.0073	2.3195	2.3195
Be3	1.8162	3.0073		1.4701	1.4701
O4	1.3935	2.3195	1.4701		2.2121
O5	1.3935	2.3195	1.4701	2.2121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.673	C1	O5	Be3	78.673
O2	C1	O4	127.468	O2	C1	O5	127.468
O4	C1	O5	105.064	O4	Be3	O5	97.589

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

using model chemistry: B3PW91/6-31G*

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	0.831
2	O	-0.431
3	Be	0.424
4	O	-0.412
5	O	-0.412

	x	y	z	Total
	0.000	0.000	-6.343	6.343
CHELPG
AIM
ESP

<r²>	66.604
(<r²>)^1/2	8.161

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

using model chemistry: B3PW91/6-31G*

States and conformations

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