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	hartrees
Energy at 0K	-274.488215
Energy at 298.15K	-274.488467
HF Energy	-274.488215
Nuclear repulsion energy	130.234193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1901	1736	64.36
2	A₁	1057	966	25.24
3	A₁	761	695	45.39
4	A₁	637	582	52.59
5	B₁	579	529	2.64
6	B₁	234	214	20.59
7	B₂	1121	1025	84.57
8	B₂	459	419	0.02
9	B₂	345	316	30.42

Atom	y (Å)	z (Å)
C1	0.000	0.357
O2	0.000	1.603
Be3	0.000	-1.500
O4	1.195	-0.560
O5	-1.195	-0.560

	C1	O2	Be3	O4	O5
C1		1.2465	1.8573	1.5065	1.5065
O2	1.2465		3.1038	2.4718	2.4718
Be3	1.8573	3.1038		1.5206	1.5206
O4	1.5065	2.4718	1.5206		2.3904
O5	1.5065	2.4718	1.5206	2.3904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	75.690	C1	O5	Be3	75.690
O2	C1	O4	127.501	O2	C1	O5	127.501
O4	C1	O5	104.998	O4	Be3	O5	103.622

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

using model chemistry: PBEPBE/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	0.213
2	O	-0.144
3	Be	0.274
4	O	-0.171
5	O	-0.171

	x	y	z	Total
	0.000	0.000	-2.899	2.899
CHELPG
AIM
ESP

<r²>	72.399
(<r²>)^1/2	8.509

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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