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	hartrees
Energy at 0K	-278.351052
Energy at 298.15K	-278.352057
HF Energy	-278.351052
Nuclear repulsion energy	136.735678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1868	1849	339.25
2	A₁	1075	1064	95.71
3	A₁	819	810	111.02
4	A₁	700	693	89.05
5	B₁	745	737	21.89
6	B₁	283	281	69.82
7	B₂	1164	1152	350.15
8	B₂	630	623	94.19
9	B₂	548	542	5.11

Atom	y (Å)	z (Å)
C1	0.000	0.338
O2	0.000	1.531
Be3	0.000	-1.487
O4	1.122	-0.520
O5	-1.122	-0.520

	C1	O2	Be3	O4	O5
C1		1.1937	1.8247	1.4125	1.4125
O2	1.1937		3.0184	2.3384	2.3384
Be3	1.8247	3.0184		1.4812	1.4812
O4	1.4125	2.3384	1.4812		2.2443
O5	1.4125	2.3384	1.4812	2.2443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.145	C1	O5	Be3	78.145
O2	C1	O4	127.398	O2	C1	O5	127.398
O4	C1	O5	105.205	O4	Be3	O5	98.505

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

using model chemistry: PBEPBEultrafine/6-311G*

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	0.539
2	O	-0.261
3	Be	0.362
4	O	-0.320
5	O	-0.320

	x	y	z	Total
	0.000	0.000	-5.976	5.976
CHELPG
AIM
ESP

<r²>	67.874
(<r²>)^1/2	8.239

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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