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	hartrees
Energy at 0K	-264.650435
Energy at 298.15K
HF Energy	-264.650435
Nuclear repulsion energy	122.152858

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	2272	2272	0.00	65.22	0.50	0.67
2	Σ_g	783	783	0.00	43.72	0.16	0.28
3	Σ_u	2420	2420	3028.85	0.00	0.00	0.00
4	Σ_u	1646	1646	112.16	0.00	0.00	0.00
5	Π_g	581	581	0.00	0.93	0.75	0.86
5	Π_g	581	581	0.00	0.93	0.75	0.86
6	Π_u	528	528	42.66	0.00	0.00	0.00
6	Π_u	528	528	42.66	0.00	0.00	0.00
7	Π_u	27i	27i	0.13	0.00	0.00	0.00
7	Π_u	27i	27i	0.13	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	2.445
O5	0.000	0.000	-2.445

	C1	C2	C3	O4	O5
C1		1.2799	1.2799	2.4450	2.4450
C2	1.2799		2.5598	1.1651	3.7249
C3	1.2799	2.5598		3.7249	1.1651
O4	2.4450	1.1651	3.7249		4.8901
O5	2.4450	3.7249	1.1651	4.8901

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/daug-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	2.019
2	C	-0.181
3	C	-0.181
4	O	-0.829
5	O	-0.829

<r²>	133.057
(<r²>)^1/2	11.535

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

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

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