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	hartrees
Energy at 0K	-264.831701
Energy at 298.15K	-264.830202
HF Energy	-264.831701
Nuclear repulsion energy	122.552427

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	2241	2241	0.00	67.78	0.48	0.65
2	Σ_g	777	777	0.00	43.09	0.16	0.28
3	Σ_u	2383	2383	2823.18	0.00	0.00	0.00
4	Σ_u	1627	1627	104.76	0.00	0.00	0.00
5	Π_g	582	582	0.00	0.89	0.75	0.86
5	Π_g	582	582	0.00	0.89	0.75	0.86
6	Π_u	540	540	39.45	0.00	0.00	0.00
6	Π_u	540	540	39.45	0.00	0.00	0.00
7	Π_u	46	46	0.03	0.00	0.00	0.00
7	Π_u	46	46	0.03	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		1.2729	1.2729	2.4368	2.4368
C2	1.2729		2.5457	1.1640	3.7097
C3	1.2729	2.5457		3.7097	1.1640
O4	2.4368	1.1640	3.7097		4.8736
O5	2.4368	3.7097	1.1640	4.8736

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/daug-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	-0.635
2	C	1.398
3	C	1.398
4	O	-1.081
5	O	-1.081

<r²>	132.137
(<r²>)^1/2	11.495

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

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

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