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	hartrees
Energy at 0K	-263.415972
Energy at 298.15K	-263.414622
Nuclear repulsion energy	122.710908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2255	2231	0.00
2	Σ_g	776	768	0.00
3	Σ_u	2419	2392	2288.44
4	Σ_u	1632	1614	81.76
5	Π_g	566	560	0.00
5	Π_g	566	560	0.00
6	Π_u	558	552	41.90
6	Π_u	558	552	41.90
7	Π_u	81	80	0.00
7	Π_u	81	80	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.271
C3	0.000	0.000	-1.271
O4	0.000	0.000	2.434
O5	0.000	0.000	-2.434

	C1	C2	C3	O4	O5
C1		1.2714	1.2714	2.4337	2.4337
C2	1.2714		2.5427	1.1623	3.7050
C3	1.2714	2.5427		3.7050	1.1623
O4	2.4337	1.1623	3.7050		4.8674
O5	2.4337	3.7050	1.1623	4.8674

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	O4	180.000		C1	C3	O5	180.000
C2	C1	C3	180.000

All results from a given calculation for C₃O₂ (Carbon suboxide)

using model chemistry: LSDA/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	-0.116
2	C	0.167
3	C	0.167
4	O	-0.109
5	O	-0.109

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3O2 (Carbon suboxide)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃O₂ (Carbon suboxide)