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	hartrees
Energy at 0K	-278.579738
Energy at 298.15K	-278.580687
HF Energy	-278.579738
Nuclear repulsion energy	135.460783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1802	1798	360.78
2	A₁	1050	1048	98.93
3	A₁	781	780	104.15
4	A₁	677	676	105.92
5	B₁	721	720	21.35
6	B₁	287	286	68.61
7	B₂	1135	1133	351.21
8	B₂	600	599	93.75
9	B₂	521	520	17.85

Atom	y (Å)	z (Å)
C1	0.000	0.345
O2	0.000	1.547
Be3	0.000	-1.503
O4	1.131	-0.527
O5	-1.131	-0.527

	C1	O2	Be3	O4	O5
C1		1.2024	1.8479	1.4275	1.4275
O2	1.2024		3.0503	2.3621	2.3621
Be3	1.8479	3.0503		1.4939	1.4939
O4	1.4275	2.3621	1.4939		2.2612
O5	1.4275	2.3621	1.4939	2.2612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.442	C1	O5	Be3	78.442
O2	C1	O4	127.628	O2	C1	O5	127.628
O4	C1	O5	104.745	O4	Be3	O5	98.372

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

using model chemistry: BLYP/aug-cc-pVDZ

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	1.087
2	O	-0.314
3	Be	0.232
4	O	-0.503
5	O	-0.503

	x	y	z	Total
	0.000	0.000	-6.296	6.296
CHELPG
AIM
ESP

<r²>	69.355
(<r²>)^1/2	8.328

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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