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	hartrees
Energy at 0K	-264.836266
Energy at 298.15K	-264.834915
HF Energy	-264.836266
Nuclear repulsion energy	122.835074

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	2261	2261	0.00	58.00	0.42	0.59
2	Σ_g	782	782	0.00	38.78	0.21	0.34
3	Σ_u	2388	2388	3020.71	0.00	0.00	0.00
4	Σ_u	1646	1646	102.29	0.00	0.00	0.00
5	Π_g	590	590	0.00	0.60	0.75	0.86
5	Π_g	590	590	0.00	0.60	0.75	0.86
6	Π_u	572	572	56.15	0.00	0.00	0.00
6	Π_u	572	572	56.15	0.00	0.00	0.00
7	Π_u	70	70	0.07	0.00	0.00	0.00
7	Π_u	70	70	0.07	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.431
O5	0.000	0.000	-2.431

	C1	C2	C3	O4	O5
C1		1.2723	1.2723	2.4314	2.4314
C2	1.2723		2.5446	1.1591	3.7037
C3	1.2723	2.5446		3.7037	1.1591
O4	2.4314	1.1591	3.7037		4.8628
O5	2.4314	3.7037	1.1591	4.8628

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: B3LYPultrafine/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	-0.450
2	C	0.352
3	C	0.352
4	O	-0.127
5	O	-0.127

<r²>	131.824
(<r²>)^1/2	11.481

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

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

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