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	hartrees
Energy at 0K	-278.477259
Energy at 298.15K	-278.478409
HF Energy	-278.477259
Nuclear repulsion energy	137.633475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1943	1875	396.09
2	A₁	1108	1069	111.27
3	A₁	874	844	145.96
4	A₁	730	704	75.21
5	B₁	786	758	31.76
6	B₁	293	283	74.93
7	B₂	1226	1184	403.53
8	B₂	741	715	71.98
9	B₂	573	553	1.53

Atom	y (Å)	z (Å)
C1	0.000	0.334
O2	0.000	1.523
Be3	0.000	-1.496
O4	1.110	-0.513
O5	-1.110	-0.513

	C1	O2	Be3	O4	O5
C1		1.1885	1.8304	1.3959	1.3959
O2	1.1885		3.0189	2.3183	2.3183
Be3	1.8304	3.0189		1.4826	1.4826
O4	1.3959	2.3183	1.4826		2.2192
O5	1.3959	2.3183	1.4826	2.2192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.907	C1	O5	Be3	78.907
O2	C1	O4	127.358	O2	C1	O5	127.358
O4	C1	O5	105.284	O4	Be3	O5	96.902

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

using model chemistry: B3PW91/cc-pVDZ

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	0.497
2	O	-0.200
3	Be	0.180
4	O	-0.238
5	O	-0.238

	x	y	z	Total
	0.000	0.000	-6.301	6.301
CHELPG
AIM
ESP

<r²>	66.881
(<r²>)^1/2	8.178

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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