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	hartrees
Energy at 0K	-274.498049
Energy at 298.15K	-274.498663
HF Energy	-274.498049
Nuclear repulsion energy	132.718977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1996	1761	83.48
2	A₁	1123	991	43.75
3	A₁	845	746	70.96
4	A₁	694	612	43.35
5	B₁	633	558	8.86
6	B₁	249	220	30.30
7	B₂	1182	1043	140.66
8	B₂	581	513	9.67
9	B₂	491	433	2.40

Atom	y (Å)	z (Å)
C1	0.000	0.352
O2	0.000	1.583
Be3	0.000	-1.503
O4	1.158	-0.548
O5	-1.158	-0.548

	C1	O2	Be3	O4	O5
C1		1.2314	1.8544	1.4664	1.4664
O2	1.2314		3.0859	2.4253	2.4253
Be3	1.8544	3.0859		1.5010	1.5010
O4	1.4664	2.4253	1.5010		2.3162
O5	1.4664	2.4253	1.5010	2.3162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.343	C1	O5	Be3	77.343
O2	C1	O4	127.836	O2	C1	O5	127.836
O4	C1	O5	104.327	O4	Be3	O5	100.986

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

using model chemistry: PBE1PBE/STO-3G

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	0.261
2	O	-0.175
3	Be	0.354
4	O	-0.220
5	O	-0.220

	x	y	z	Total
	0.000	0.000	-3.582	3.582
CHELPG
AIM
ESP

<r²>	70.129
(<r²>)^1/2	8.374

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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