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	hartrees
Energy at 0K	-278.307941
Energy at 298.15K	-278.309124
HF Energy	-278.307941
Nuclear repulsion energy	138.193628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1940	1852	458.95
2	A₁	1132	1081	129.43
3	A₁	898	858	171.37
4	A₁	744	710	74.82
5	B₁	797	761	37.66
6	B₁	298	285	76.86
7	B₂	1242	1186	479.77
8	B₂	779	744	63.13
9	B₂	577	551	1.40

Atom	y (Å)	z (Å)
C1	0.000	0.332
O2	0.000	1.522
Be3	0.000	-1.489
O4	1.102	-0.513
O5	-1.102	-0.513

	C1	O2	Be3	O4	O5
C1		1.1903	1.8206	1.3881	1.3881
O2	1.1903		3.0109	2.3140	2.3140
Be3	1.8206	3.0109		1.4716	1.4716
O4	1.3881	2.3140	1.4716		2.2030
O5	1.3881	2.3140	1.4716	2.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.022	C1	O5	Be3	79.022
O2	C1	O4	127.483	O2	C1	O5	127.483
O4	C1	O5	105.035	O4	Be3	O5	96.922

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

using model chemistry: HSEh1PBE/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	0.700
2	O	-0.436
3	Be	0.514
4	O	-0.389
5	O	-0.389

	x	y	z	Total
	0.000	0.000	-6.806	6.806
CHELPG
AIM
ESP

<r²>	66.898
(<r²>)^1/2	8.179

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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