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	hartrees
Energy at 0K	-264.711086
Energy at 298.15K	-264.709735
HF Energy	-264.711086
Nuclear repulsion energy	120.719645

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	2170	2173	0.00	40.43	0.28	0.44
2	Σ_g	757	758	0.00	33.61	0.26	0.41
3	Σ_u	2353	2357	2009.95	0.00	0.00	0.00
4	Σ_u	1570	1572	107.81	0.00	0.00	0.00
5	Π_g	552	553	0.00	0.50	0.75	0.86
5	Π_g	552	553	0.00	0.50	0.75	0.86
6	Π_u	532	533	41.74	0.00	0.00	0.00
6	Π_u	532	533	41.74	0.00	0.00	0.00
7	Π_u	99	100	0.04	0.00	0.00	0.00
7	Π_u	99	100	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	1.291
C3	0.000	0.000	-1.291
O4	0.000	0.000	2.474
O5	0.000	0.000	-2.474

	C1	C2	C3	O4	O5
C1		1.2905	1.2905	2.4737	2.4737
C2	1.2905		2.5811	1.1831	3.7642
C3	1.2905	2.5811		3.7642	1.1831
O4	2.4737	1.1831	3.7642		4.9473
O5	2.4737	3.7642	1.1831	4.9473

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: BLYP/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	0.353
2	C	-0.141
3	C	-0.141
4	O	-0.036
5	O	-0.036

<r²>	135.125
(<r²>)^1/2	11.624

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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