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	hartrees
Energy at 0K	-264.469707
Energy at 298.15K	-264.468363
HF Energy	-264.469707
Nuclear repulsion energy	120.934760

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	2203	2190	0.00	41.42	0.28	0.44
2	Σ_g	765	760	0.00	33.61	0.26	0.41
3	Σ_u	2389	2375	2021.32	0.00	0.00	0.00
4	Σ_u	1591	1582	103.73	0.00	0.00	0.00
5	Π_g	559	555	0.00	0.49	0.75	0.86
5	Π_g	559	555	0.00	0.49	0.75	0.86
6	Π_u	539	536	43.40	0.00	0.00	0.00
6	Π_u	539	536	43.40	0.00	0.00	0.00
7	Π_u	95	95	0.10	0.00	0.00	0.00
7	Π_u	95	95	0.10	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	1.289
C3	0.000	0.000	-1.289
O4	0.000	0.000	2.469
O5	0.000	0.000	-2.469

	C1	C2	C3	O4	O5
C1		1.2891	1.2891	2.4693	2.4693
C2	1.2891		2.5783	1.1802	3.7585
C3	1.2891	2.5783		3.7585	1.1802
O4	2.4693	1.1802	3.7585		4.9387
O5	2.4693	3.7585	1.1802	4.9387

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/cc-pVDZ

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	0.285
2	C	-0.099
3	C	-0.099
4	O	-0.044
5	O	-0.044

<r²>	134.653
(<r²>)^1/2	11.604

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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