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	hartrees
Energy at 0K	-264.445882
Energy at 298.15K	-264.444629
HF Energy	-264.445882
Nuclear repulsion energy	121.010043

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	2212	2182	0.00	42.16	0.29	0.45
2	Σ_g	766	756	0.00	34.17	0.26	0.42
3	Σ_u	2393	2360	1986.84	0.00	0.00	0.00
4	Σ_u	1597	1576	87.08	0.00	0.00	0.00
5	Π_g	550	542	0.00	0.23	0.75	0.86
5	Π_g	550	542	0.00	0.23	0.75	0.86
6	Π_u	547	539	49.11	0.00	0.00	0.00
6	Π_u	547	539	49.11	0.00	0.00	0.00
7	Π_u	125	124	0.06	0.00	0.00	0.00
7	Π_u	125	124	0.06	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	1.285
C3	0.000	0.000	-1.285
O4	0.000	0.000	2.468
O5	0.000	0.000	-2.468

	C1	C2	C3	O4	O5
C1		1.2851	1.2851	2.4676	2.4676
C2	1.2851		2.5703	1.1824	3.7527
C3	1.2851	2.5703		3.7527	1.1824
O4	2.4676	1.1824	3.7527		4.9351
O5	2.4676	3.7527	1.1824	4.9351

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: PBEPBE/6-31G**

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	0.509
2	C	0.077
3	C	0.077
4	O	-0.332
5	O	-0.332

<r²>	134.445
(<r²>)^1/2	11.595

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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