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	hartrees
Energy at 0K	-278.340168
Energy at 298.15K	-278.341130
HF Energy	-278.340168
Nuclear repulsion energy	134.284917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1870	1791	324.33
2	A₁	1055	1011	141.91
3	A₁	804	770	128.56
4	A₁	684	655	86.01
5	B₁	724	693	41.30
6	B₁	277	265	87.61
7	B₂	1112	1065	346.74
8	B₂	641	614	60.60
9	B₂	537	514	7.95

Atom	y (Å)	z (Å)
C1	0.000	0.360
O2	0.000	1.565
Be3	0.000	-1.550
O4	1.127	-0.530
O5	-1.127	-0.530

	C1	O2	Be3	O4	O5
C1		1.2050	1.9100	1.4369	1.4369
O2	1.2050		3.1150	2.3798	2.3798
Be3	1.9100	3.1150		1.5198	1.5198
O4	1.4369	2.3798	1.5198		2.2549
O5	1.4369	2.3798	1.5198	2.2549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	80.426	C1	O5	Be3	80.426
O2	C1	O4	128.314	O2	C1	O5	128.314
O4	C1	O5	103.372	O4	Be3	O5	95.776

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

using model chemistry: B3PW91/6-31G

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	0.659
2	O	-0.358
3	Be	0.757
4	O	-0.529
5	O	-0.529

	x	y	z	Total
	0.000	0.000	-6.654	6.654
CHELPG
AIM
ESP

<r²>	70.171
(<r²>)^1/2	8.377

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

using model chemistry: B3PW91/6-31G

States and conformations

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