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	hartrees
Energy at 0K	-277.128660
Energy at 298.15K	-277.129780
HF Energy	-277.128660
Nuclear repulsion energy	138.147790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1937	1901	308.71
2	A₁	1123	1102	97.36
3	A₁	877	861	128.70
4	A₁	730	716	67.81
5	B₁	763	749	24.80
6	B₁	291	286	65.49
7	B₂	1230	1207	369.02
8	B₂	741	727	67.67
9	B₂	558	548	0.21

Atom	y (Å)	z (Å)
C1	0.000	0.328
O2	0.000	1.521
Be3	0.000	-1.477
O4	1.106	-0.514
O5	-1.106	-0.514

	C1	O2	Be3	O4	O5
C1		1.1936	1.8049	1.3901	1.3901
O2	1.1936		2.9984	2.3165	2.3165
Be3	1.8049	2.9984		1.4668	1.4668
O4	1.3901	2.3165	1.4668		2.2125
O5	1.3901	2.3165	1.4668	2.2125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.310	C1	O5	Be3	78.310
O2	C1	O4	127.267	O2	C1	O5	127.267
O4	C1	O5	105.466	O4	Be3	O5	97.914

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

using model chemistry: LSDA/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	0.692
2	O	-0.362
3	Be	0.313
4	O	-0.322
5	O	-0.322

	x	y	z	Total
	0.000	0.000	-5.973	5.973
CHELPG
AIM
ESP

<r²>	66.530
(<r²>)^1/2	8.157

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

using model chemistry: LSDA/6-31G**

States and conformations

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