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	hartrees
Energy at 0K	-261.868651
Energy at 298.15K	-261.867837
Nuclear repulsion energy	121.439896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2215	2179	0.00
2	Σ_g	778	765	0.00
3	Σ_u	2462	2421	1509.53
4	Σ_u	1597	1571	73.98
5	Π_g	621	611	0.00
5	Π_g	621	611	0.00
6	Π_u	796	783	55.87
6	Π_u	796	783	55.87
7	Π_u	154	151	0.19
7	Π_u	154	151	0.19

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	2.458
O5	0.000	0.000	-2.458

	C1	C2	C3	O4	O5
C1		1.2691	1.2691	2.4581	2.4581
C2	1.2691		2.5382	1.1890	3.7272
C3	1.2691	2.5382		3.7272	1.1890
O4	2.4581	1.1890	3.7272		4.9162
O5	2.4581	3.7272	1.1890	4.9162

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: LSDA/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	0.399
2	C	0.156
3	C	0.156
4	O	-0.356
5	O	-0.356

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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