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	hartrees
Energy at 0K	-263.669044
Energy at 298.15K	-263.670071
HF Energy	-263.669044
Nuclear repulsion energy	110.629855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2117	2026	617.80
2	A₁	1167	1116	9.50
3	A₁	762	729	13.91
4	B₁	682	653	32.23
5	B₂	963	922	72.61
6	B₂	581	556	6.87

Atom	y (Å)	z (Å)
C1	0.000	0.260
O2	0.000	1.426
O3	0.771	-0.811
O4	-0.771	-0.811

	C1	O2	O3	O4
C1		1.1667	1.3188	1.3188
O2	1.1667		2.3659	2.3659
O3	1.3188	2.3659		1.5415
O4	1.3188	2.3659	1.5415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	O3	144.238		O2	C1	O4	144.238
O3	C1	O4	71.524

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	0.677
2	O	-0.340
3	O	-0.168
4	O	-0.168

	x	y	z	Total
	0.000	0.000	-0.730	0.730
CHELPG
AIM
ESP

<r²>	50.359
(<r²>)^1/2	7.096

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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