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	hartrees
Energy at 0K	-278.569038
Energy at 298.15K	-278.570216
HF Energy	-278.569038
Nuclear repulsion energy	138.650527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1958	1869	436.51
2	A₁	1127	1075	123.69
3	A₁	897	856	162.15
4	A₁	747	713	72.91
5	B₁	805	768	37.93
6	B₁	296	282	78.58
7	B₂	1232	1176	450.76
8	B₂	749	715	66.20
9	B₂	587	560	1.38

Atom	y (Å)	z (Å)
C1	0.000	0.334
O2	0.000	1.515
Be3	0.000	-1.486
O4	1.098	-0.511
O5	-1.098	-0.511

	C1	O2	Be3	O4	O5
C1		1.1809	1.8202	1.3861	1.3861
O2	1.1809		3.0010	2.3048	2.3048
Be3	1.8202	3.0010		1.4685	1.4685
O4	1.3861	2.3048	1.4685		2.1967
O5	1.3861	2.3048	1.4685	2.1967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	79.175	C1	O5	Be3	79.175
O2	C1	O4	127.588	O2	C1	O5	127.588
O4	C1	O5	104.825	O4	Be3	O5	96.825

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

using model chemistry: mPW1PW91/6-311G*

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	0.622
2	O	-0.315
3	Be	0.441
4	O	-0.374
5	O	-0.374

	x	y	z	Total
	0.000	0.000	-6.522	6.522
CHELPG
AIM
ESP

<r²>	66.252
(<r²>)^1/2	8.140

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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