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	hartrees
Energy at 0K	-264.639729
Energy at 298.15K	-264.638491
HF Energy	-264.639729
Nuclear repulsion energy	120.752626

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	2169	2087	0.00	29.83	0.27	0.43
2	Σ_g	764	735	0.00	36.47	0.27	0.42
3	Σ_u	2405	2314	2164.57	0.00	0.00	0.00
4	Σ_u	1554	1496	169.80	0.00	0.00	0.00
5	Π_g	524	504	0.00	0.00	0.75	0.86
5	Π_g	524	504	0.00	0.00	0.75	0.86
6	Π_u	546	525	58.63	0.00	0.00	0.00
6	Π_u	546	525	58.63	0.00	0.00	0.00
7	Π_u	142	136	0.48	0.00	0.00	0.00
7	Π_u	142	136	0.48	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	1.277
C3	0.000	0.000	-1.277
O4	0.000	0.000	2.472
O5	0.000	0.000	-2.472

	C1	C2	C3	O4	O5
C1		1.2773	1.2773	2.4721	2.4721
C2	1.2773		2.5546	1.1948	3.7494
C3	1.2773	2.5546		3.7494	1.1948
O4	2.4721	1.1948	3.7494		4.9442
O5	2.4721	3.7494	1.1948	4.9442

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

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	0.349
2	C	0.121
3	C	0.121
4	O	-0.295
5	O	-0.295

<r²>	135.407
(<r²>)^1/2	11.636

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

using model chemistry: TPSSh/6-31G

States and conformations

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