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	hartrees
Energy at 0K	-262.046443
Energy at 298.15K	-262.047190
HF Energy	-262.046443
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1937	1904	265.64
2	A₁	987	971	1.86
3	A₁	623	612	15.36
4	B₁	571	561	20.83
5	B₂	768	755	55.71
6	B₂	488	480	1.65

Atom	y (Å)	z (Å)
C1	0.000	0.280
O2	0.000	1.478
O3	0.842	-0.844
O4	-0.842	-0.844

	C1	O2	O3	O4
C1		1.1979	1.4041	1.4041
O2	1.1979		2.4693	2.4693
O3	1.4041	2.4693		1.6849
O4	1.4041	2.4693	1.6849

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	O3	143.180		O2	C1	O4	143.180
O3	C1	O4	73.641

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

using model chemistry: B97D3/3-21G

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	0.929
2	O	-0.410
3	O	-0.259
4	O	-0.259

	x	y	z	Total
	0.000	0.000	-0.181	0.181
CHELPG
AIM
ESP

<r²>	54.142
(<r²>)^1/2	7.358

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

using model chemistry: B97D3/3-21G

States and conformations

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