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	hartrees
Energy at 0K	-264.831272
Energy at 298.15K	-264.829816
HF Energy	-264.831272
Nuclear repulsion energy	122.555879

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	2242	2164	0.00	68.85	0.48	0.65
2	Σ_g	777	750	0.00	43.03	0.16	0.28
3	Σ_u	2386	2303	2826.43	0.00	0.00	0.00
4	Σ_u	1629	1572	106.87	0.00	0.00	0.00
5	Π_g	583	563	0.00	0.86	0.75	0.86
5	Π_g	583	563	0.00	0.86	0.75	0.86
6	Π_u	542	523	39.65	0.00	0.00	0.00
6	Π_u	542	523	39.65	0.00	0.00	0.00
7	Π_u	53	51	0.02	0.00	0.00	0.00
7	Π_u	53	51	0.02	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	2.437
O5	0.000	0.000	-2.437

	C1	C2	C3	O4	O5
C1		1.2728	1.2728	2.4367	2.4367
C2	1.2728		2.5457	1.1639	3.7096
C3	1.2728	2.5457		3.7096	1.1639
O4	2.4367	1.1639	3.7096		4.8735
O5	2.4367	3.7096	1.1639	4.8735

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: TPSSh/aug-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	1.243
2	C	-0.249
3	C	-0.249
4	O	-0.373
5	O	-0.373

<r²>	132.137
(<r²>)^1/2	11.495

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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