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	hartrees
Energy at 0K	-264.644959
Energy at 298.15K	-264.643681
HF Energy	-264.644959
Nuclear repulsion energy	122.993215

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	2326	2326	0.00	42.74	0.29	0.45
2	Σ_g	796	796	0.00	34.15	0.24	0.39
3	Σ_u	2443	2443	3192.40	0.00	0.00	0.00
4	Σ_u	1683	1683	65.19	0.00	0.00	0.00
5	Π_g	618	618	0.00	0.65	0.75	0.86
5	Π_g	618	618	0.00	0.65	0.75	0.86
6	Π_u	626	626	66.83	0.00	0.00	0.00
6	Π_u	626	626	66.83	0.00	0.00	0.00
7	Π_u	62	62	0.03	0.00	0.00	0.00
7	Π_u	62	62	0.03	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.428
O5	0.000	0.000	-2.428

	C1	C2	C3	O4	O5
C1		1.2715	1.2715	2.4284	2.4284
C2	1.2715		2.5431	1.1568	3.6999
C3	1.2715	2.5431		3.6999	1.1568
O4	2.4284	1.1568	3.6999		4.8567
O5	2.4284	3.6999	1.1568	4.8567

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: wB97X-D/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	-0.719
2	C	0.587
3	C	0.587
4	O	-0.227
5	O	-0.227

<r²>	130.966
(<r²>)^1/2	11.444

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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