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	hartrees
Energy at 0K	-278.367086
Energy at 298.15K	-278.368258
HF Energy	-278.367086
Nuclear repulsion energy	138.601677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1956	1877	428.49
2	A₁	1124	1079	119.08
3	A₁	895	859	160.02
4	A₁	745	715	73.84
5	B₁	802	770	36.65
6	B₁	295	283	77.75
7	B₂	1229	1180	447.17
8	B₂	742	712	66.16
9	B₂	586	562	1.18

Atom	y (Å)	z (Å)
C1	0.000	0.334
O2	0.000	1.515
Be3	0.000	-1.486
O4	1.099	-0.511
O5	-1.099	-0.511

	C1	O2	Be3	O4	O5
C1		1.1815	1.8192	1.3865	1.3865
O2	1.1815		3.0007	2.3054	2.3054
Be3	1.8192	3.0007		1.4690	1.4690
O4	1.3865	2.3054	1.4690		2.1988
O5	1.3865	2.3054	1.4690	2.1988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.090	C1	O5	Be3	79.090
O2	C1	O4	127.543	O2	C1	O5	127.543
O4	C1	O5	104.914	O4	Be3	O5	96.905

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

using model chemistry: HSEh1PBE/6-311G*

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	0.606
2	O	-0.306
3	Be	0.438
4	O	-0.369
5	O	-0.369

	x	y	z	Total
	0.000	0.000	-6.482	6.482
CHELPG
AIM
ESP

<r²>	66.314
(<r²>)^1/2	8.143

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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