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	hartrees
Energy at 0K	-263.633499
Energy at 298.15K	-263.634352
HF Energy	-263.633499
Nuclear repulsion energy	107.490872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1987	1971	412.24
2	A₁	1061	1053	9.01
3	A₁	630	625	11.56
4	B₁	617	612	23.43
5	B₂	911	904	64.64
6	B₂	528	524	4.41

Atom	y (Å)	z (Å)
C1	0.000	0.259
O2	0.000	1.447
O3	0.797	-0.821
O4	-0.797	-0.821

	C1	O2	O3	O4
C1		1.1877	1.3422	1.3422
O2	1.1877		2.4037	2.4037
O3	1.3422	2.4037		1.5939
O4	1.3422	2.4037	1.5939

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	O3	143.576		O2	C1	O4	143.576
O3	C1	O4	72.849

All results from a given calculation for CO₃ (Carbon trioxide)

using model chemistry: BLYP/6-31G*

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	0.794
2	O	-0.357
3	O	-0.219
4	O	-0.219

	x	y	z	Total
	0.000	0.000	-0.550	0.550
CHELPG
AIM
ESP

<r²>	52.102
(<r²>)^1/2	7.218

All results from a given calculation for CO3 (Carbon trioxide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CO₃ (Carbon trioxide)