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	hartrees
Energy at 0K	-277.143531
Energy at 298.15K	-277.144649
HF Energy	-277.143531
Nuclear repulsion energy	138.030119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1906	1878	380.98
2	A₁	1116	1099	113.11
3	A₁	876	863	149.69
4	A₁	722	712	71.20
5	B₁	763	752	26.93
6	B₁	291	286	70.79
7	B₂	1212	1194	430.44
8	B₂	747	736	73.57
9	B₂	556	548	0.85

Atom	y (Å)	z (Å)
C1	0.000	0.329
O2	0.000	1.524
Be3	0.000	-1.485
O4	1.104	-0.514
O5	-1.104	-0.514

	C1	O2	Be3	O4	O5
C1		1.1949	1.8144	1.3893	1.3893
O2	1.1949		3.0093	2.3178	2.3178
Be3	1.8144	3.0093		1.4710	1.4710
O4	1.3893	2.3178	1.4710		2.2089
O5	1.3893	2.3178	1.4710	2.2089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.685	C1	O5	Be3	78.685
O2	C1	O4	127.347	O2	C1	O5	127.347
O4	C1	O5	105.306	O4	Be3	O5	97.323

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

using model chemistry: LSDA/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	0.583
2	O	-0.374
3	Be	0.418
4	O	-0.314
5	O	-0.314

	x	y	z	Total
	0.000	0.000	-6.521	6.521
CHELPG
AIM
ESP

<r²>	67.154
(<r²>)^1/2	8.195

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

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

States and conformations

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