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	hartrees
Energy at 0K	-278.590373
Energy at 298.15K	-278.591506
HF Energy	-278.590373
Nuclear repulsion energy	137.482536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1904	1836	441.53
2	A₁	1119	1079	130.35
3	A₁	865	834	158.35
4	A₁	732	706	80.46
5	B₁	779	751	37.47
6	B₁	299	288	74.95
7	B₂	1214	1170	453.61
8	B₂	729	703	77.65
9	B₂	565	545	2.99

Atom	y (Å)	z (Å)
C1	0.000	0.337
O2	0.000	1.531
Be3	0.000	-1.493
O4	1.107	-0.519
O5	-1.107	-0.519

	C1	O2	Be3	O4	O5
C1		1.1932	1.8299	1.3994	1.3994
O2	1.1932		3.0230	2.3291	2.3291
Be3	1.8299	3.0230		1.4744	1.4744
O4	1.3994	2.3291	1.4744		2.2140
O5	1.3994	2.3291	1.4744	2.2140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.053	C1	O5	Be3	79.053
O2	C1	O4	127.714	O2	C1	O5	127.714
O4	C1	O5	104.572	O4	Be3	O5	97.322

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

using model chemistry: B3LYP/6-31+G**

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	0.708
2	O	-0.438
3	Be	0.512
4	O	-0.390
5	O	-0.390

	x	y	z	Total
	0.000	0.000	-6.695	6.695
CHELPG
AIM
ESP

<r²>	67.611
(<r²>)^1/2	8.223

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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