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	hartrees
Energy at 0K	-264.548795
Energy at 298.15K	-264.547312
HF Energy	-264.548795
Nuclear repulsion energy	121.808372

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	2191	2167	0.00	71.48	0.47	0.64
2	Σ_g	762	753	0.00	44.03	0.17	0.29
3	Σ_u	2354	2327	2392.73	0.00	0.00	0.00
4	Σ_u	1591	1573	103.81	0.00	0.00	0.00
5	Π_g	559	552	0.00	0.90	0.75	0.86
5	Π_g	559	552	0.00	0.90	0.75	0.86
6	Π_u	522	516	32.40	0.00	0.00	0.00
6	Π_u	522	516	32.40	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	2.452
O5	0.000	0.000	-2.452

	C1	C2	C3	O4	O5
C1		1.2791	1.2791	2.4516	2.4516
C2	1.2791		2.5581	1.1725	3.7306
C3	1.2791	2.5581		3.7306	1.1725
O4	2.4516	1.1725	3.7306		4.9031
O5	2.4516	3.7306	1.1725	4.9031

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: PBEPBEultrafine/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	1.201
2	C	-0.292
3	C	-0.292
4	O	-0.309
5	O	-0.309

<r²>	133.554
(<r²>)^1/2	11.557

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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