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	hartrees
Energy at 0K	-48.724931
Energy at 298.15K	-48.723880
HF Energy	-48.724931
Nuclear repulsion energy	58.007845

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	2190	2190	0.00	46.41	0.26	0.42
2	Σ_g	766	766	0.00	46.90	0.26	0.42
3	Σ_u	2417	2417	3203.72	0.00	0.00	0.00
4	Σ_u	1569	1569	225.73	0.00	0.00	0.00
5	Π_g	544	544	0.00	0.15	0.75	0.86
5	Π_g	544	544	0.00	0.15	0.75	0.86
6	Π_u	586	586	108.01	0.00	0.00	0.00
6	Π_u	586	586	108.01	0.00	0.00	0.00
7	Π_u	176	176	0.26	0.00	0.00	0.00
7	Π_u	176	176	0.26	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	1.309
C3	0.000	0.000	-1.309
O4	0.000	0.000	2.505
O5	0.000	0.000	-2.505

	C1	C2	C3	O4	O5
C1		1.3090	1.3090	2.5051	2.5051
C2	1.3090		2.6180	1.1961	3.8141
C3	1.3090	2.6180		3.8141	1.1961
O4	2.5051	1.1961	3.8141		5.0102
O5	2.5051	3.8141	1.1961	5.0102

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: wB97X-D/CEP-31G

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	1.866
2	C	-1.030
3	C	-1.030
4	O	0.097
5	O	0.097

<r²>	107.570
(<r²>)^1/2	10.372

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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