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	hartrees
Energy at 0K	-264.800037
Energy at 298.15K	-264.798540
HF Energy	-264.800037
Nuclear repulsion energy	121.712961

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	2161	2154	0.00	72.91	0.47	0.64
2	Σ_g	757	754	0.00	44.67	0.17	0.29
3	Σ_u	2323	2315	2432.96	0.00	0.00	0.00
4	Σ_u	1573	1568	119.00	0.00	0.00	0.00
5	Π_g	554	552	0.00	0.93	0.75	0.86
5	Π_g	554	552	0.00	0.93	0.75	0.86
6	Π_u	518	516	33.43	0.00	0.00	0.00
6	Π_u	518	516	33.43	0.00	0.00	0.00
7	Π_u	63	62	0.00	0.00	0.00	0.00
7	Π_u	63	62	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	1.279
C3	0.000	0.000	-1.279
O4	0.000	0.000	2.453
O5	0.000	0.000	-2.453

	C1	C2	C3	O4	O5
C1		1.2788	1.2788	2.4534	2.4534
C2	1.2788		2.5576	1.1746	3.7322
C3	1.2788	2.5576		3.7322	1.1746
O4	2.4534	1.1746	3.7322		4.9068
O5	2.4534	3.7322	1.1746	4.9068

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: BLYP/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	1.330
2	C	-0.313
3	C	-0.313
4	O	-0.352
5	O	-0.352

<r²>	133.903
(<r²>)^1/2	11.572

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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