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	hartrees
Energy at 0K	-278.563305
Energy at 298.15K	-278.564480
HF Energy	-278.563305
Nuclear repulsion energy	138.803768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1963	1882	433.80
2	A₁	1133	1086	123.40
3	A₁	900	862	160.72
4	A₁	745	714	72.71
5	B₁	802	769	37.44
6	B₁	293	281	78.05
7	B₂	1235	1184	452.04
8	B₂	751	720	65.20
9	B₂	585	561	1.15

Atom	y (Å)	z (Å)
C1	0.000	0.333
O2	0.000	1.513
Be3	0.000	-1.484
O4	1.098	-0.511
O5	-1.098	-0.511

	C1	O2	Be3	O4	O5
C1		1.1797	1.8171	1.3845	1.3845
O2	1.1797		2.9968	2.3021	2.3021
Be3	1.8171	2.9968		1.4668	1.4668
O4	1.3845	2.3021	1.4668		2.1951
O5	1.3845	2.3021	1.4668	2.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.120	C1	O5	Be3	79.120
O2	C1	O4	127.559	O2	C1	O5	127.559
O4	C1	O5	104.882	O4	Be3	O5	96.879

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

using model chemistry: B1B95/6-311G*

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	0.610
2	O	-0.306
3	Be	0.424
4	O	-0.364
5	O	-0.364

	x	y	z	Total
	0.000	0.000	-6.475	6.475
CHELPG
AIM
ESP

<r²>	66.108
(<r²>)^1/2	8.131

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

using model chemistry: B1B95/6-311G*

States and conformations

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