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	hartrees
Energy at 0K	-264.731267
Energy at 298.15K	-264.729747
HF Energy	-264.731267
Nuclear repulsion energy	123.295098

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	2305	2305	0.00	67.68	0.47	0.64
2	Σ_g	791	791	0.00	41.27	0.17	0.29
3	Σ_u	2419	2419	3308.30	0.00	0.00	0.00
4	Σ_u	1675	1675	89.20	0.00	0.00	0.00
5	Π_g	602	602	0.00	0.72	0.75	0.86
5	Π_g	602	602	0.00	0.72	0.75	0.86
6	Π_u	575	575	47.92	0.00	0.00	0.00
6	Π_u	575	575	47.92	0.00	0.00	0.00
7	Π_u	19	19	0.03	0.00	0.00	0.00
7	Π_u	19	19	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	1.269
C3	0.000	0.000	-1.269
O4	0.000	0.000	2.422
O5	0.000	0.000	-2.422

	C1	C2	C3	O4	O5
C1		1.2693	1.2693	2.4225	2.4225
C2	1.2693		2.5387	1.1532	3.6918
C3	1.2693	2.5387		3.6918	1.1532
O4	2.4225	1.1532	3.6918		4.8450
O5	2.4225	3.6918	1.1532	4.8450

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: B1B95/6-311+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	0.584
2	C	0.370
3	C	0.370
4	O	-0.661
5	O	-0.661

<r²>	130.919
(<r²>)^1/2	11.442

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

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

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