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	hartrees
Energy at 0K	-278.282580
Energy at 298.15K	-278.283769
HF Energy	-278.282580
Nuclear repulsion energy	138.228175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1944	1857	459.15
2	A₁	1136	1085	130.07
3	A₁	901	861	171.18
4	A₁	745	712	74.30
5	B₁	798	762	37.49
6	B₁	297	284	76.88
7	B₂	1247	1191	478.30
8	B₂	787	752	62.09
9	B₂	578	552	1.34

Atom	y (Å)	z (Å)
C1	0.000	0.331
O2	0.000	1.521
Be3	0.000	-1.488
O4	1.102	-0.513
O5	-1.102	-0.513

	C1	O2	Be3	O4	O5
C1		1.1905	1.8191	1.3876	1.3876
O2	1.1905		3.0096	2.3134	2.3134
Be3	1.8191	3.0096		1.4712	1.4712
O4	1.3876	2.3134	1.4712		2.2030
O5	1.3876	2.3134	1.4712	2.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.976	C1	O5	Be3	78.976
O2	C1	O4	127.456	O2	C1	O5	127.456
O4	C1	O5	105.087	O4	Be3	O5	96.960

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

using model chemistry: PBE1PBE/6-31+G**

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	0.696
2	O	-0.436
3	Be	0.512
4	O	-0.386
5	O	-0.386

	x	y	z	Total
	0.000	0.000	-6.807	6.807
CHELPG
AIM
ESP

<r²>	66.861
(<r²>)^1/2	8.177

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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