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	hartrees
Energy at 0K	-278.596490
Energy at 298.15K	-278.597691
HF Energy	-278.596490
Nuclear repulsion energy	138.927931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1949	1865	433.36
2	A₁	1151	1102	122.76
3	A₁	899	861	156.37
4	A₁	745	713	75.47
5	B₁	803	768	33.36
6	B₁	296	283	75.95
7	B₂	1245	1191	447.33
8	B₂	770	737	66.28
9	B₂	583	558	1.82

Atom	y (Å)	z (Å)
C1	0.000	0.332
O2	0.000	1.512
Be3	0.000	-1.478
O4	1.098	-0.511
O5	-1.098	-0.511

	C1	O2	Be3	O4	O5
C1		1.1798	1.8099	1.3839	1.3839
O2	1.1798		2.9897	2.3011	2.3011
Be3	1.8099	2.9897		1.4631	1.4631
O4	1.3839	2.3011	1.4631		2.1955
O5	1.3839	2.3011	1.4631	2.1955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.893	C1	O5	Be3	78.893
O2	C1	O4	127.508	O2	C1	O5	127.508
O4	C1	O5	104.984	O4	Be3	O5	97.229

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

using model chemistry: B1B95/cc-pVTZ

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	0.490
2	O	-0.256
3	Be	0.314
4	O	-0.274
5	O	-0.274

	x	y	z	Total
	0.000	0.000	-6.579	6.579
CHELPG
AIM
ESP

<r²>	66.009
(<r²>)^1/2	8.125

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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