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	hartrees
Energy at 0K	-264.527642
Energy at 298.15K	-264.526215
HF Energy	-264.527642
Nuclear repulsion energy	123.032935

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	2296	2207	0.00	68.06	0.49	0.66
2	Σ_g	790	760	0.00	42.66	0.16	0.27
3	Σ_u	2416	2323	3225.18	0.00	0.00	0.00
4	Σ_u	1669	1605	93.21	0.00	0.00	0.00
5	Π_g	598	575	0.00	0.89	0.75	0.86
5	Π_g	598	575	0.00	0.89	0.75	0.86
6	Π_u	570	548	46.26	0.00	0.00	0.00
6	Π_u	570	548	46.26	0.00	0.00	0.00
7	Π_u	44	43	0.04	0.00	0.00	0.00
7	Π_u	44	43	0.04	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	1.271
C3	0.000	0.000	-1.271
O4	0.000	0.000	2.428
O5	0.000	0.000	-2.428

	C1	C2	C3	O4	O5
C1		1.2713	1.2713	2.4276	2.4276
C2	1.2713		2.5427	1.1562	3.6989
C3	1.2713	2.5427		3.6989	1.1562
O4	2.4276	1.1562	3.6989		4.8552
O5	2.4276	3.6989	1.1562	4.8552

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: PBE1PBE/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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Number	Element	Mulliken
1	C	1.279
2	C	-0.309
3	C	-0.309
4	O	-0.330
5	O	-0.330

<r²>	131.399
(<r²>)^1/2	11.463

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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