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	hartrees
Energy at 0K	-264.466312
Energy at 298.15K
HF Energy	-264.466312
Nuclear repulsion energy	122.317275

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	2293	2293	0.00	65.45	0.51	0.67
2	Σ_g	789	789	0.00	43.76	0.16	0.27
3	Σ_u	2434	2434	3184.36	0.00	0.00	0.00
4	Σ_u	1662	1662	108.31	0.00	0.00	0.00
5	Π_g	589	589	0.00	0.94	0.75	0.86
5	Π_g	589	589	0.00	0.94	0.75	0.86
6	Π_u	539	539	44.76	0.00	0.00	0.00
6	Π_u	539	539	44.76	0.00	0.00	0.00
7	Π_u	30i	30i	0.16	0.00	0.00	0.00
7	Π_u	30i	30i	0.16	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	1.279
C3	0.000	0.000	-1.279
O4	0.000	0.000	2.442
O5	0.000	0.000	-2.442

	C1	C2	C3	O4	O5
C1		1.2792	1.2792	2.4418	2.4418
C2	1.2792		2.5583	1.1627	3.7210
C3	1.2792	2.5583		3.7210	1.1627
O4	2.4418	1.1627	3.7210		4.8837
O5	2.4418	3.7210	1.1627	4.8837

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: PBE1PBE/daug-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	2.098
2	C	-0.134
3	C	-0.134
4	O	-0.915
5	O	-0.915

<r²>	132.813
(<r²>)^1/2	11.524

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

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

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