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	hartrees
Energy at 0K	-259.770181
Energy at 298.15K	-259.769041
HF Energy	-259.770181
Nuclear repulsion energy	122.293680

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	2574	2102	0.00	26.80	0.28	0.44
2	Σ_g	872	712	0.00	25.32	0.29	0.44
3	Σ_u	2645	2159	3727.52	0.00	0.00	0.00
4	Σ_u	1800	1470	0.09	0.00	0.00	0.00
5	Π_g	616	503	0.00	0.20	0.75	0.86
5	Π_g	616	503	0.00	0.20	0.75	0.86
6	Π_u	655	535	105.88	0.00	0.00	0.00
6	Π_u	655	535	105.88	0.00	0.00	0.00
7	Π_u	151	123	0.09	0.00	0.00	0.00
7	Π_u	151	123	0.09	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	1.261
C3	0.000	0.000	-1.261
O4	0.000	0.000	2.441
O5	0.000	0.000	-2.441

	C1	C2	C3	O4	O5
C1		1.2610	1.2610	2.4410	2.4410
C2	1.2610		2.5220	1.1800	3.7020
C3	1.2610	2.5220		3.7020	1.1800
O4	2.4410	1.1800	3.7020		4.8819
O5	2.4410	3.7020	1.1800	4.8819

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/STO-3G

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	-0.245
2	C	0.318
3	C	0.318
4	O	-0.195
5	O	-0.195

<r²>	130.538
(<r²>)^1/2	11.425

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

using model chemistry: HF/STO-3G

States and conformations

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