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	hartrees
Energy at 0K	-264.612104
Energy at 298.15K	-264.610939
HF Energy	-264.612104
Nuclear repulsion energy	122.100566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2295	2196	0.00
2	Σ_g	791	757	0.00
3	Σ_u	2440	2335	2650.70
4	Σ_u	1661	1589	90.42
5	Π_g	582	557	0.00
5	Π_g	582	557	0.00
6	Π_u	590	564	70.88
6	Π_u	590	564	70.88
7	Π_u	123	117	0.02
7	Π_u	123	117	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.277
C3	0.000	0.000	-1.277
O4	0.000	0.000	2.446
O5	0.000	0.000	-2.446

	C1	C2	C3	O4	O5
C1		1.2773	1.2773	2.4458	2.4458
C2	1.2773		2.5546	1.1685	3.7231
C3	1.2773	2.5546		3.7231	1.1685
O4	2.4458	1.1685	3.7231		4.8916
O5	2.4458	3.7231	1.1685	4.8916

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: B3PW91/6-31G*

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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Number	Element	Mulliken
1	C	0.432
2	C	0.146
3	C	0.146
4	O	-0.362
5	O	-0.362

<r²>	132.610
(<r²>)^1/2	11.516

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

using model chemistry: B3PW91/6-31G*

States and conformations

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