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	hartrees
Energy at 0K	-264.754083
Energy at 298.15K	-264.752828
HF Energy	-264.754083
Nuclear repulsion energy	122.352722

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	2260	2181	0.00	43.83	0.28	0.44
2	Σ_g	781	754	0.00	33.62	0.24	0.39
3	Σ_u	2414	2330	2467.37	0.00	0.00	0.00
4	Σ_u	1634	1577	83.31	0.00	0.00	0.00
5	Π_g	598	577	0.00	0.65	0.75	0.86
5	Π_g	598	577	0.00	0.65	0.75	0.86
6	Π_u	593	572	50.63	0.00	0.00	0.00
6	Π_u	593	572	50.63	0.00	0.00	0.00
7	Π_u	87	84	0.00	0.00	0.00	0.00
7	Π_u	87	84	0.00	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	1.274
C3	0.000	0.000	-1.274
O4	0.000	0.000	2.441
O5	0.000	0.000	-2.441

	C1	C2	C3	O4	O5
C1		1.2742	1.2742	2.4407	2.4407
C2	1.2742		2.5484	1.1665	3.7149
C3	1.2742	2.5484		3.7149	1.1665
O4	2.4407	1.1665	3.7149		4.8815
O5	2.4407	3.7149	1.1665	4.8815

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/6-31G(2df,p)

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	-0.661
2	C	0.563
3	C	0.563
4	O	-0.232
5	O	-0.232

<r²>	131.948
(<r²>)^1/2	11.487

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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