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	hartrees
Energy at 0K	-264.795039
Energy at 298.15K	-264.793491
HF Energy	-264.795039
Nuclear repulsion energy	121.788404

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	2169	2157	0.00	72.16	0.45	0.62
2	Σ_g	757	753	0.00	43.25	0.18	0.30
3	Σ_u	2331	2318	2445.33	0.00	0.00	0.00
4	Σ_u	1577	1569	114.84	0.00	0.00	0.00
5	Π_g	558	555	0.00	0.79	0.75	0.86
5	Π_g	558	555	0.00	0.79	0.75	0.86
6	Π_u	520	517	34.56	0.00	0.00	0.00
6	Π_u	520	517	34.56	0.00	0.00	0.00
7	Π_u	48	48	0.00	0.00	0.00	0.00
7	Π_u	48	48	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	1.279
C3	0.000	0.000	-1.279
O4	0.000	0.000	2.452
O5	0.000	0.000	-2.452

	C1	C2	C3	O4	O5
C1		1.2787	1.2787	2.4519	2.4519
C2	1.2787		2.5574	1.1732	3.7306
C3	1.2787	2.5574		3.7306	1.1732
O4	2.4519	1.1732	3.7306		4.9038
O5	2.4519	3.7306	1.1732	4.9038

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: BLYP/6-311+G(3df,2p)

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	0.847
2	C	0.144
3	C	0.144
4	O	-0.568
5	O	-0.568

<r²>	133.797
(<r²>)^1/2	11.567

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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