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	hartrees
Energy at 0K	-261.808977
Energy at 298.15K	-261.808314
HF Energy	-261.808977
Nuclear repulsion energy	123.623801

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	2391	2165	0.00	22.55	0.25	0.40
2	Σ_g	840	760	0.00	31.14	0.29	0.45
3	Σ_u	2511	2274	4167.49	0.00	0.00	0.00
4	Σ_u	1748	1583	182.17	0.00	0.00	0.00
5	Π_g	706	640	0.00	0.04	0.75	0.86
5	Π_g	706	640	0.00	0.04	0.75	0.86
6	Π_u	863	782	206.35	0.00	0.00	0.00
6	Π_u	863	782	206.35	0.00	0.00	0.00
7	Π_u	154	140	0.06	0.00	0.00	0.00
7	Π_u	154	140	0.06	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	1.256
C3	0.000	0.000	-1.256
O4	0.000	0.000	2.415
O5	0.000	0.000	-2.415

	C1	C2	C3	O4	O5
C1		1.2561	1.2561	2.4152	2.4152
C2	1.2561		2.5122	1.1591	3.6713
C3	1.2561	2.5122		3.6713	1.1591
O4	2.4152	1.1591	3.6713		4.8305
O5	2.4152	3.6713	1.1591	4.8305

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: HF/3-21G

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	-0.045
2	C	0.557
3	C	0.557
4	O	-0.535
5	O	-0.535

<r²>	130.821
(<r²>)^1/2	11.438

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

using model chemistry: HF/3-21G

States and conformations

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