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	hartrees
Energy at 0K	-274.704679
Energy at 298.15K	-274.705335
HF Energy	-274.704679
Nuclear repulsion energy	132.620236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1989	1989	92.91
2	A₁	1126	1126	53.85
3	A₁	851	851	77.57
4	A₁	698	698	43.98
5	B₁	631	631	11.56
6	B₁	248	248	34.57
7	B₂	1193	1193	149.35
8	B₂	632	632	10.39
9	B₂	500	500	0.83

Atom	y (Å)	z (Å)
C1	0.000	0.355
O2	0.000	1.587
Be3	0.000	-1.508
O4	1.156	-0.549
O5	-1.156	-0.549

	C1	O2	Be3	O4	O5
C1		1.2319	1.8627	1.4674	1.4674
O2	1.2319		3.0946	2.4285	2.4285
Be3	1.8627	3.0946		1.5019	1.5019
O4	1.4674	2.4285	1.5019		2.3119
O5	1.4674	2.4285	1.5019	2.3119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	Be3	77.698	C1	O5	Be3	77.698
O2	C1	O4	128.022	O2	C1	O5	128.022
O4	C1	O5	103.956	O4	Be3	O5	100.647

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

using model chemistry: wB97X-D/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	0.272
2	O	-0.186
3	Be	0.384
4	O	-0.235
5	O	-0.235

	x	y	z	Total
	0.000	0.000	-3.821	3.821
CHELPG
AIM
ESP

<r²>	70.175
(<r²>)^1/2	8.377

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

using model chemistry: wB97X-D/STO-3G

States and conformations

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