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	hartrees
Energy at 0K	-264.468420
Energy at 298.15K	-264.467110
HF Energy	-264.468420
Nuclear repulsion energy	121.609003

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	2214	2192	0.00	43.47	0.29	0.45
2	Σ_g	766	758	0.00	33.71	0.24	0.39
3	Σ_u	2389	2364	2036.42	0.00	0.00	0.00
4	Σ_u	1597	1581	74.24	0.00	0.00	0.00
5	Π_g	573	567	0.00	0.70	0.75	0.86
5	Π_g	573	567	0.00	0.70	0.75	0.86
6	Π_u	571	565	39.93	0.00	0.00	0.00
6	Π_u	571	565	39.93	0.00	0.00	0.00
7	Π_u	89	89	0.02	0.00	0.00	0.00
7	Π_u	89	89	0.02	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	1.280
C3	0.000	0.000	-1.280
O4	0.000	0.000	2.456
O5	0.000	0.000	-2.456

	C1	C2	C3	O4	O5
C1		1.2804	1.2804	2.4555	2.4555
C2	1.2804		2.5609	1.1751	3.7360
C3	1.2804	2.5609		3.7360	1.1751
O4	2.4555	1.1751	3.7360		4.9111
O5	2.4555	3.7360	1.1751	4.9111

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: PBEPBE/6-31G(2df,p)

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	-0.545
2	C	0.457
3	C	0.457
4	O	-0.185
5	O	-0.185

<r²>	133.245
(<r²>)^1/2	11.543

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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