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	hartrees
Energy at 0K	-278.423449
Energy at 298.15K	-278.424567
HF Energy	-278.172822
Nuclear repulsion energy	137.764567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1917	1917	391.56
2	A₁	1108	1108	121.83
3	A₁	857	857	148.11
4	A₁	733	733	82.52
5	B₁	784	784	34.46
6	B₁	296	296	76.54
7	B₂	1202	1202	397.90
8	B₂	693	693	83.02
9	B₂	574	574	2.69

Atom	y (Å)	z (Å)
C1	0.000	0.339
O2	0.000	1.524
Be3	0.000	-1.488
O4	1.107	-0.517
O5	-1.107	-0.517

	C1	O2	Be3	O4	O5
C1		1.1852	1.8267	1.3995	1.3995
O2	1.1852		3.0119	2.3220	2.3220
Be3	1.8267	3.0119		1.4728	1.4728
O4	1.3995	2.3220	1.4728		2.2148
O5	1.3995	2.3220	1.4728	2.2148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.939	C1	O5	Be3	78.939
O2	C1	O4	127.695	O2	C1	O5	127.695
O4	C1	O5	104.610	O4	Be3	O5	97.513

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

using model chemistry: B2PLYP/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	0.593
2	O	-0.289
3	Be	0.445
4	O	-0.374
5	O	-0.374

	x	y	z	Total
	0.000	0.000	-6.289	6.289
CHELPG
AIM
ESP

<r²>	67.120
(<r²>)^1/2	8.193

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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