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	hartrees
Energy at 0K	-263.691217
Energy at 298.15K	-263.692170
HF Energy	-263.691217
Nuclear repulsion energy	109.209069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2054	1994	565.60
2	A₁	1112	1079	11.26
3	A₁	691	671	12.38
4	B₁	660	640	31.11
5	B₂	916	888	64.66
6	B₂	556	540	6.07

Atom	y (Å)	z (Å)
C1	0.000	0.261
O2	0.000	1.438
O3	0.794	-0.817
O4	-0.794	-0.817

	C1	O2	O3	O4
C1		1.1773	1.3382	1.3382
O2	1.1773		2.3904	2.3904
O3	1.3382	2.3904		1.5874
O4	1.3382	2.3904	1.5874

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	O3	143.624		O2	C1	O4	143.624
O3	C1	O4	72.753

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.747
2	O	-0.249
3	O	-0.249
4	O	-0.249

	x	y	z	Total
	0.000	0.000	-0.695	0.695
CHELPG
AIM
ESP

<r²>	51.421
(<r²>)^1/2	7.171

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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