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	hartrees
Energy at 0K	-278.532633
Energy at 298.15K	-278.533784
HF Energy	-278.532633
Nuclear repulsion energy	138.284771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1940	1868	420.77
2	A₁	1117	1075	121.36
3	A₁	881	849	154.04
4	A₁	738	711	76.07
5	B₁	794	765	35.68
6	B₁	294	283	77.87
7	B₂	1219	1173	435.55
8	B₂	727	700	71.41
9	B₂	580	559	1.97

Atom	y (Å)	z (Å)
C1	0.000	0.335
O2	0.000	1.518
Be3	0.000	-1.487
O4	1.102	-0.513
O5	-1.102	-0.513

	C1	O2	Be3	O4	O5
C1		1.1830	1.8229	1.3910	1.3910
O2	1.1830		3.0059	2.3114	2.3114
Be3	1.8229	3.0059		1.4710	1.4710
O4	1.3910	2.3114	1.4710		2.2043
O5	1.3910	2.3114	1.4710	2.2043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.073	C1	O5	Be3	79.073
O2	C1	O4	127.597	O2	C1	O5	127.597
O4	C1	O5	104.807	O4	Be3	O5	97.048

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

using model chemistry: B3PW91/6-311G*

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	0.611
2	O	-0.308
3	Be	0.436
4	O	-0.369
5	O	-0.369

	x	y	z	Total
	0.000	0.000	-6.468	6.468
CHELPG
AIM
ESP

<r²>	66.540
(<r²>)^1/2	8.157

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

using model chemistry: B3PW91/6-311G*

States and conformations

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