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	hartrees
Energy at 0K	-276.919998
Energy at 298.15K	-276.921096
HF Energy	-276.919998
Nuclear repulsion energy	134.914702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1987	1905	306.30
2	A₁	1183	1134	169.94
3	A₁	839	805	124.45
4	A₁	714	684	66.78
5	B₁	757	726	56.71
6	B₁	286	275	88.74
7	B₂	1224	1173	280.67
8	B₂	718	688	78.47
9	B₂	559	536	3.08

Atom	y (Å)	z (Å)
C1	0.000	0.367
O2	0.000	1.561
Be3	0.000	-1.532
O4	1.121	-0.535
O5	-1.121	-0.535

	C1	O2	Be3	O4	O5
C1		1.1938	1.8990	1.4388	1.4388
O2	1.1938		3.0929	2.3766	2.3766
Be3	1.8990	3.0929		1.5008	1.5008
O4	1.4388	2.3766	1.5008		2.2427
O5	1.4388	2.3766	1.5008	2.2427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	80.452	C1	O5	Be3	80.452
O2	C1	O4	128.799	O2	C1	O5	128.799
O4	C1	O5	102.402	O4	Be3	O5	96.694

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

using model chemistry: M06-2X/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	0.782
2	O	-0.453
3	Be	0.750
4	O	-0.539
5	O	-0.539

	x	y	z	Total
	0.000	0.000	-6.204	6.204
CHELPG
AIM
ESP

<r²>	69.629
(<r²>)^1/2	8.344

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

using model chemistry: M06-2X/3-21G

States and conformations

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