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	hartrees
Energy at 0K	-264.556870
Energy at 298.15K	-264.555454
HF Energy	-264.556870
Nuclear repulsion energy	121.803858

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	2196	2169	0.00	58.59	0.40	0.58
2	Σ_g	761	752	0.00	39.46	0.21	0.35
3	Σ_u	2359	2331	2306.24	0.00	0.00	0.00
4	Σ_u	1592	1573	96.36	0.00	0.00	0.00
5	Π_g	559	553	0.00	0.61	0.75	0.86
5	Π_g	559	553	0.00	0.61	0.75	0.86
6	Π_u	532	526	39.71	0.00	0.00	0.00
6	Π_u	532	526	39.71	0.00	0.00	0.00
7	Π_u	79	78	0.02	0.00	0.00	0.00
7	Π_u	79	78	0.02	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	2.452
O5	0.000	0.000	-2.452

	C1	C2	C3	O4	O5
C1		1.2800	1.2800	2.4517	2.4517
C2	1.2800		2.5600	1.1718	3.7317
C3	1.2800	2.5600		3.7317	1.1718
O4	2.4517	1.1718	3.7317		4.9035
O5	2.4517	3.7317	1.1718	4.9035

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: PBEPBE/Def2TZVPP

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	-0.300
2	C	0.251
3	C	0.251
4	O	-0.101
5	O	-0.101

<r²>	133.478
(<r²>)^1/2	11.553

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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