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	hartrees
Energy at 0K	-277.028638
Energy at 298.15K	-277.029597
HF Energy	-277.028638
Nuclear repulsion energy	134.098366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1918	1850	268.16
2	A₁	1138	1098	128.50
3	A₁	785	757	90.75
4	A₁	681	657	83.35
5	B₁	723	697	33.23
6	B₁	285	275	76.84
7	B₂	1173	1132	223.14
8	B₂	607	586	81.74
9	B₂	521	503	22.40

Atom	y (Å)	z (Å)
C1	0.000	0.370
O2	0.000	1.567
Be3	0.000	-1.529
O4	1.134	-0.540
O5	-1.134	-0.540

	C1	O2	Be3	O4	O5
C1		1.1971	1.8986	1.4532	1.4532
O2	1.1971		3.0957	2.3919	2.3919
Be3	1.8986	3.0957		1.5047	1.5047
O4	1.4532	2.3919	1.5047		2.2674
O5	1.4532	2.3919	1.5047	2.2674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.840	C1	O5	Be3	79.840
O2	C1	O4	128.726	O2	C1	O5	128.726
O4	C1	O5	102.547	O4	Be3	O5	97.773

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

using model chemistry: B3LYP/3-21G

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	0.744
2	O	-0.436
3	Be	0.688
4	O	-0.498
5	O	-0.498

	x	y	z	Total
	0.000	0.000	-5.734	5.734
CHELPG
AIM
ESP

<r²>	70.287
(<r²>)^1/2	8.384

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

using model chemistry: B3LYP/3-21G

States and conformations

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