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	hartrees
Energy at 0K	-264.849586
Energy at 298.15K	-264.848092
HF Energy	-264.849586
Nuclear repulsion energy	122.648757

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	2242	0.00	67.68	0.49	0.65
2	Σ_g	777	777	0.00	42.86	0.16	0.28
3	Σ_u	2383	2383	2833.89	0.00	0.00	0.00
4	Σ_u	1629	1629	104.88	0.00	0.00	0.00
5	Π_g	583	583	0.00	0.89	0.75	0.86
5	Π_g	583	583	0.00	0.89	0.75	0.86
6	Π_u	542	542	39.53	0.00	0.00	0.00
6	Π_u	542	542	39.53	0.00	0.00	0.00
7	Π_u	44	44	0.03	0.00	0.00	0.00
7	Π_u	44	44	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.435
O5	0.000	0.000	-2.435

	C1	C2	C3	O4	O5
C1		1.2725	1.2725	2.4349	2.4349
C2	1.2725		2.5449	1.1625	3.7074
C3	1.2725	2.5449		3.7074	1.1625
O4	2.4349	1.1625	3.7074		4.8699
O5	2.4349	3.7074	1.1625	4.8699

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-pVQZ

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	-0.114
2	C	0.268
3	C	0.268
4	O	-0.211
5	O	-0.211

<r²>	131.966
(<r²>)^1/2	11.488

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

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

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