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	hartrees
Energy at 0K	-277.151507
Energy at 298.15K	-277.152640
HF Energy	-277.151507
Nuclear repulsion energy	138.601965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1939	1908	310.65
2	A₁	1131	1112	92.44
3	A₁	872	858	124.47
4	A₁	725	713	71.96
5	B₁	771	759	22.34
6	B₁	296	292	65.24
7	B₂	1232	1213	340.58
8	B₂	735	723	78.43
9	B₂	562	553	0.29

Atom	y (Å)	z (Å)
C1	0.000	0.328
O2	0.000	1.515
Be3	0.000	-1.470
O4	1.104	-0.513
O5	-1.104	-0.513

	C1	O2	Be3	O4	O5
C1		1.1862	1.7985	1.3881	1.3881
O2	1.1862		2.9847	2.3086	2.3086
Be3	1.7985	2.9847		1.4612	1.4612
O4	1.3881	2.3086	1.4612		2.2081
O5	1.3881	2.3086	1.4612	2.2081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.232	C1	O5	Be3	78.232
O2	C1	O4	127.308	O2	C1	O5	127.308
O4	C1	O5	105.384	O4	Be3	O5	98.151

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.532
2	O	-0.299
3	Be	-0.071
4	O	-0.081
5	O	-0.081

	x	y	z	Total
	0.000	0.000	-5.902	5.902
CHELPG
AIM
ESP

<r²>	66.141
(<r²>)^1/2	8.133

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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