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	hartrees
Energy at 0K	-278.471621
Energy at 298.15K	-278.472783
HF Energy	-278.471621
Nuclear repulsion energy	137.867861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1925	1848	448.07
2	A₁	1125	1080	131.25
3	A₁	885	849	164.91
4	A₁	738	708	76.91
5	B₁	789	757	36.37
6	B₁	297	285	76.95
7	B₂	1231	1182	466.45
8	B₂	764	734	69.05
9	B₂	571	549	2.02

Atom	y (Å)	z (Å)
C1	0.000	0.333
O2	0.000	1.526
Be3	0.000	-1.491
O4	1.104	-0.515
O5	-1.104	-0.515

	C1	O2	Be3	O4	O5
C1		1.1921	1.8243	1.3927	1.3927
O2	1.1921		3.0164	2.3203	2.3203
Be3	1.8243	3.0164		1.4737	1.4737
O4	1.3927	2.3203	1.4737		2.2087
O5	1.3927	2.3203	1.4737	2.2087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.002	C1	O5	Be3	79.002
O2	C1	O4	127.538	O2	C1	O5	127.538
O4	C1	O5	104.923	O4	Be3	O5	97.073

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

using model chemistry: B3PW91/6-31+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	0.682
2	O	-0.430
3	Be	0.506
4	O	-0.379
5	O	-0.379

	x	y	z	Total
	0.000	0.000	-6.777	6.777
CHELPG
AIM
ESP

<r²>	67.119
(<r²>)^1/2	8.193

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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