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	hartrees
Energy at 0K	-264.521336
Energy at 298.15K	-264.519958
HF Energy	-264.521336
Nuclear repulsion energy	121.729425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ_g	2210	2187	0.00	45.95	0.31	0.48
2	Σ_g	763	755	0.00	34.66	0.25	0.40
3	Σ_u	2384	2359	2170.81	0.00	0.00	0.00
4	Σ_u	1597	1580	95.44	0.00	0.00	0.00
5	Π_g	566	561	0.00	0.33	0.75	0.86
5	Π_g	566	561	0.00	0.33	0.75	0.86
6	Π_u	551	546	51.58	0.00	0.00	0.00
6	Π_u	551	546	51.58	0.00	0.00	0.00
7	Π_u	81	80	0.16	0.00	0.00	0.00
7	Π_u	81	80	0.16	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.280
C3	0.000	0.000	-1.280
O4	0.000	0.000	2.453
O5	0.000	0.000	-2.453

	C1	C2	C3	O4	O5
C1		1.2801	1.2801	2.4532	2.4532
C2	1.2801		2.5601	1.1731	3.7332
C3	1.2801	2.5601		3.7332	1.1731
O4	2.4532	1.1731	3.7332		4.9063
O5	2.4532	3.7332	1.1731	4.9063

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: PBEPBEultrafine/6-311G*

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	-0.056
2	C	0.187
3	C	0.187
4	O	-0.159
5	O	-0.159

<r²>	133.402
(<r²>)^1/2	11.550

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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