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	hartrees
Energy at 0K	-53.355870
Energy at 298.15K	-53.356641
HF Energy	-53.355870
Nuclear repulsion energy	55.514297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1902	1853	457.85
2	A₁	1008	982	8.05
3	A₁	631	615	10.82
4	B₁	571	556	31.47
5	B₂	762	742	50.15
6	B₂	496	483	6.06

Atom	y (Å)	z (Å)
C1	0.000	0.277
O2	0.000	1.485
O3	0.832	-0.846
O4	-0.832	-0.846

	C1	O2	O3	O4
C1		1.2077	1.3984	1.3984
O2	1.2077		2.4755	2.4755
O3	1.3984	2.4755		1.6649
O4	1.3984	2.4755	1.6649

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	O3	143.466		O2	C1	O4	143.466
O3	C1	O4	73.067

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

using model chemistry: B3LYP/CEP-121G

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	0.169
2	O	-0.017
3	O	-0.076
4	O	-0.076

	x	y	z	Total
	0.000	0.000	-0.218	0.218
CHELPG
AIM
ESP

<r²>	44.576
(<r²>)^1/2	6.676

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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