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	hartrees
Energy at 0K	-278.575792
Energy at 298.15K	-278.576927
HF Energy	-278.575792
Nuclear repulsion energy	137.605046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1935	1859	368.90
2	A₁	1127	1083	114.90
3	A₁	867	833	138.03
4	A₁	739	710	76.18
5	B₁	779	748	36.10
6	B₁	299	287	69.36
7	B₂	1234	1185	395.59
8	B₂	724	696	72.70
9	B₂	567	545	1.68

Atom	y (Å)	z (Å)
C1	0.000	0.336
O2	0.000	1.528
Be3	0.000	-1.484
O4	1.109	-0.519
O5	-1.109	-0.519

	C1	O2	Be3	O4	O5
C1		1.1917	1.8201	1.4002	1.4002
O2	1.1917		3.0118	2.3278	2.3278
Be3	1.8201	3.0118		1.4700	1.4700
O4	1.4002	2.3278	1.4700		2.2177
O5	1.4002	2.3278	1.4700	2.2177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.670	C1	O5	Be3	78.670
O2	C1	O4	127.634	O2	C1	O5	127.634
O4	C1	O5	104.732	O4	Be3	O5	97.929

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

using model chemistry: B3LYPultrafine/6-31G**

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	0.820
2	O	-0.420
3	Be	0.409
4	O	-0.405
5	O	-0.405

	x	y	z	Total
	0.000	0.000	-6.168	6.168
CHELPG
AIM
ESP

<r²>	66.987
(<r²>)^1/2	8.185

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

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

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