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	hartrees
Energy at 0K	-278.341289
Energy at 298.15K	-278.342467
HF Energy	-278.341289
Nuclear repulsion energy	138.645440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1960	1878	429.94
2	A₁	1128	1081	119.62
3	A₁	899	862	160.44
4	A₁	746	715	72.91
5	B₁	803	770	36.62
6	B₁	295	283	77.69
7	B₂	1234	1183	447.22
8	B₂	751	720	65.04
9	B₂	587	562	1.08

Atom	y (Å)	z (Å)
C1	0.000	0.333
O2	0.000	1.515
Be3	0.000	-1.485
O4	1.099	-0.511
O5	-1.099	-0.511

	C1	O2	Be3	O4	O5
C1		1.1816	1.8177	1.3858	1.3858
O2	1.1816		2.9993	2.3047	2.3047
Be3	1.8177	2.9993		1.4684	1.4684
O4	1.3858	2.3047	1.4684		2.1984
O5	1.3858	2.3047	1.4684	2.1984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.054	C1	O5	Be3	79.054
O2	C1	O4	127.519	O2	C1	O5	127.519
O4	C1	O5	104.962	O4	Be3	O5	96.929

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

using model chemistry: PBE1PBE/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	0.612
2	O	-0.309
3	Be	0.433
4	O	-0.368
5	O	-0.368

	x	y	z	Total
	0.000	0.000	-6.485	6.485
CHELPG
AIM
ESP

<r²>	66.270
(<r²>)^1/2	8.141

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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