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	hartrees
Energy at 0K	-264.621322
Energy at 298.15K	-264.620439
HF Energy	-264.621322
Nuclear repulsion energy	122.098196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2282	2191	0.00
2	Σ_g	788	757	0.00
3	Σ_u	2423	2327	3005.92
4	Σ_u	1655	1589	109.70
5	Π_g	596	572	0.00
5	Π_g	596	572	0.00
6	Π_u	698	670	60.50
6	Π_u	698	670	60.50
7	Π_u	165	158	0.73
7	Π_u	165	158	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.278
C3	0.000	0.000	-1.278
O4	0.000	0.000	2.446
O5	0.000	0.000	-2.446

	C1	C2	C3	O4	O5
C1		1.2776	1.2776	2.4459	2.4459
C2	1.2776		2.5553	1.1682	3.7235
C3	1.2776	2.5553		3.7235	1.1682
O4	2.4459	1.1682	3.7235		4.8918
O5	2.4459	3.7235	1.1682	4.8918

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: B3PW91/6-31+G**

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	1.736
2	C	-0.352
3	C	-0.352
4	O	-0.515
5	O	-0.515

<r²>	133.176
(<r²>)^1/2	11.540

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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