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	hartrees
Energy at 0K	-54.602135
Energy at 298.15K	-54.603030
HF Energy	-54.602135
Nuclear repulsion energy	64.608960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1792	1746	360.26
2	A₁	1006	980	145.62
3	A₁	764	745	118.98
4	A₁	652	635	100.39
5	B₁	691	673	42.50
6	B₁	280	273	92.02
7	B₂	1063	1036	358.50
8	B₂	620	604	77.16
9	B₂	502	490	12.80

Atom	y (Å)	z (Å)
C1	0.000	0.372
O2	0.000	1.589
Be3	0.000	-1.539
O4	1.135	-0.549
O5	-1.135	-0.549

	C1	O2	Be3	O4	O5
C1		1.2168	1.9116	1.4623	1.4623
O2	1.2168		3.1283	2.4209	2.4209
Be3	1.9116	3.1283		1.5066	1.5066
O4	1.4623	2.4209	1.5066		2.2710
O5	1.4623	2.4209	1.5066	2.2710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	80.147	C1	O5	Be3	80.147
O2	C1	O4	129.057	O2	C1	O5	129.057
O4	C1	O5	101.887	O4	Be3	O5	97.819

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

using model chemistry: B3LYP/CEP-121G

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	0.338
2	O	-0.048
3	Be	0.543
4	O	-0.416
5	O	-0.416

	x	y	z	Total
	0.000	0.000	-6.683	6.683
CHELPG
AIM
ESP

<r²>	55.315
(<r²>)^1/2	7.437

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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