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	hartrees
Energy at 0K	-264.640630
Energy at 298.15K	-264.639224
HF Energy	-264.337019
Nuclear repulsion energy	122.475885

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	2233	2143	0.00	69.53	0.35	0.52
2	Σ_g	775	743	0.00	45.51	0.24	0.39
3	Σ_u	2401	2304	2691.28	0.00	0.00	0.00
4	Σ_u	1619	1553	95.24	0.00	0.00	0.00
5	Π_g	582	559	0.00	0.67	0.75	0.86
5	Π_g	582	559	0.00	0.67	0.75	0.86
6	Π_u	554	532	49.22	0.00	0.00	0.00
6	Π_u	554	532	49.22	0.00	0.00	0.00
7	Π_u	62	60	0.12	0.00	0.00	0.00
7	Π_u	62	60	0.12	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	1.273
C3	0.000	0.000	-1.273
O4	0.000	0.000	2.438
O5	0.000	0.000	-2.438

	C1	C2	C3	O4	O5
C1		1.2732	1.2732	2.4383	2.4383
C2	1.2732		2.5464	1.1651	3.7115
C3	1.2732	2.5464		3.7115	1.1651
O4	2.4383	1.1651	3.7115		4.8766
O5	2.4383	3.7115	1.1651	4.8766

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: B2PLYP/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	-0.065
2	C	0.180
3	C	0.180
4	O	-0.147
5	O	-0.147

<r²>	132.271
(<r²>)^1/2	11.501

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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