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	hartrees
Energy at 0K	-278.617346
Energy at 298.15K	-278.618280
HF Energy	-278.617346
Nuclear repulsion energy	136.063151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1834	333.85
2	A₁	1065	1063	98.79
3	A₁	787	785	95.36
4	A₁	688	687	102.64
5	B₁	731	729	23.38
6	B₁	286	285	68.58
7	B₂	1142	1139	328.95
8	B₂	574	573	69.77
9	B₂	525	524	43.29

Atom	y (Å)	z (Å)
C1	0.000	0.346
O2	0.000	1.540
Be3	0.000	-1.490
O4	1.127	-0.527
O5	-1.127	-0.527

	C1	O2	Be3	O4	O5
C1		1.1942	1.8357	1.4253	1.4253
O2	1.1942		3.0299	2.3539	2.3539
Be3	1.8357	3.0299		1.4827	1.4827
O4	1.4253	2.3539	1.4827		2.2542
O5	1.4253	2.3539	1.4827	2.2542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	78.262	C1	O5	Be3	78.262
O2	C1	O4	127.741	O2	C1	O5	127.741
O4	C1	O5	104.518	O4	Be3	O5	98.958

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

using model chemistry: BLYP/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	0.532
2	O	-0.249
3	Be	0.377
4	O	-0.330
5	O	-0.330

	x	y	z	Total
	0.000	0.000	-5.862	5.862
CHELPG
AIM
ESP

<r²>	68.561
(<r²>)^1/2	8.280

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

using model chemistry: BLYP/6-311G*

States and conformations

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