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	hartrees
Energy at 0K	-54.712895
Energy at 298.15K	-54.714065
HF Energy	-54.712895
Nuclear repulsion energy	66.859435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1915	1915	475.21
2	A₁	1116	1116	133.36
3	A₁	887	887	181.74
4	A₁	748	748	77.03
5	B₁	783	783	39.51
6	B₁	300	300	79.30
7	B₂	1227	1227	462.39
8	B₂	773	773	65.68
9	B₂	571	571	1.56

Atom	y (Å)	z (Å)
C1	0.000	0.337
O2	0.000	1.530
Be3	0.000	-1.486
O4	1.106	-0.520
O5	-1.106	-0.520

	C1	O2	Be3	O4	O5
C1		1.1924	1.8230	1.3990	1.3990
O2	1.1924		3.0155	2.3286	2.3286
Be3	1.8230	3.0155		1.4684	1.4684
O4	1.3990	2.3286	1.4684		2.2117
O5	1.3990	2.3286	1.4684	2.2117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.915	C1	O5	Be3	78.915
O2	C1	O4	127.772	O2	C1	O5	127.772
O4	C1	O5	104.456	O4	Be3	O5	97.714

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

using model chemistry: wB97X-D/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	0.520
2	O	-0.243
3	Be	0.229
4	O	-0.253
5	O	-0.253

	x	y	z	Total
	0.000	0.000	-6.686	6.686
CHELPG
AIM
ESP

<r²>	51.745
(<r²>)^1/2	7.193

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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