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	hartrees
Energy at 0K	-274.767833
Energy at 298.15K	-274.768561
HF Energy	-274.767833
Nuclear repulsion energy	133.498053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2043	2043	92.46
2	A₁	1159	1159	61.27
3	A₁	881	881	76.38
4	A₁	711	711	38.75
5	B₁	658	658	16.34
6	B₁	264	264	33.37
7	B₂	1217	1217	163.60
8	B₂	658	658	2.35
9	B₂	500	500	1.16

Atom	y (Å)	z (Å)
C1	0.000	0.353
O2	0.000	1.578
Be3	0.000	-1.502
O4	1.146	-0.546
O5	-1.146	-0.546

	C1	O2	Be3	O4	O5
C1		1.2248	1.8549	1.4565	1.4565
O2	1.2248		3.0798	2.4132	2.4132
Be3	1.8549	3.0798		1.4925	1.4925
O4	1.4565	2.4132	1.4925		2.2921
O5	1.4565	2.4132	1.4925	2.2921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.943	C1	O5	Be3	77.943
O2	C1	O4	128.106	O2	C1	O5	128.106
O4	C1	O5	103.788	O4	Be3	O5	100.327

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

using model chemistry: M06-2X/STO-3G

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	0.295
2	O	-0.186
3	Be	0.371
4	O	-0.240
5	O	-0.240

	x	y	z	Total
	0.000	0.000	-3.706	3.706
CHELPG
AIM
ESP

<r²>	69.512
(<r²>)^1/2	8.337

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

using model chemistry: M06-2X/STO-3G

States and conformations

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