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	hartrees
Energy at 0K	-263.180465
Energy at 298.15K	-263.179664
HF Energy	-263.180465
Nuclear repulsion energy	122.727734

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	2355	2121	0.00	35.44	0.32	0.48
2	Σ_g	816	734	0.00	40.21	0.25	0.40
3	Σ_u	2435	2192	5782.12	0.00	0.00	0.00
4	Σ_u	1703	1533	335.63	0.00	0.00	0.00
5	Π_g	650	586	0.00	0.05	0.75	0.86
5	Π_g	650	586	0.00	0.05	0.75	0.86
6	Π_u	740	667	206.29	0.00	0.00	0.00
6	Π_u	740	667	206.29	0.00	0.00	0.00
7	Π_u	160	144	0.00	0.00	0.00	0.00
7	Π_u	160	144	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	1.269
C3	0.000	0.000	-1.269
O4	0.000	0.000	2.433
O5	0.000	0.000	-2.433

	C1	C2	C3	O4	O5
C1		1.2686	1.2686	2.4331	2.4331
C2	1.2686		2.5373	1.1645	3.7018
C3	1.2686	2.5373		3.7018	1.1645
O4	2.4331	1.1645	3.7018		4.8663
O5	2.4331	3.7018	1.1645	4.8663

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/SDD

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	-0.662
2	C	0.605
3	C	0.605
4	O	-0.274
5	O	-0.274

<r²>	133.267
(<r²>)^1/2	11.544

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

using model chemistry: HF/SDD

States and conformations

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