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	hartrees
Energy at 0K	-276.721934
Energy at 298.15K	-276.722963
HF Energy	-276.721934
Nuclear repulsion energy	134.715793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1950	1871	283.64
2	A₁	1152	1106	142.25
3	A₁	817	784	108.53
4	A₁	698	670	72.63
5	B₁	741	712	37.58
6	B₁	285	274	82.94
7	B₂	1191	1143	252.64
8	B₂	664	638	86.21
9	B₂	545	523	5.78

Atom	y (Å)	z (Å)
C1	0.000	0.364
O2	0.000	1.560
Be3	0.000	-1.533
O4	1.126	-0.533
O5	-1.126	-0.533

	C1	O2	Be3	O4	O5
C1		1.1959	1.8970	1.4399	1.4399
O2	1.1959		3.0929	2.3769	2.3769
Be3	1.8970	3.0929		1.5058	1.5058
O4	1.4399	2.3769	1.5058		2.2522
O5	1.4399	2.3769	1.5058	2.2522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	80.146	C1	O5	Be3	80.146
O2	C1	O4	128.549	O2	C1	O5	128.549
O4	C1	O5	102.902	O4	Be3	O5	96.806

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

using model chemistry: PBE1PBE/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	0.770
2	O	-0.454
3	Be	0.728
4	O	-0.522
5	O	-0.522

	x	y	z	Total
	0.000	0.000	-6.065	6.065
CHELPG
AIM
ESP

<r²>	69.681
(<r²>)^1/2	8.348

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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