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	hartrees
Energy at 0K	-264.522421
Energy at 298.15K	-264.521272
HF Energy	-264.522421
Nuclear repulsion energy	121.531803

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	2234	2234	0.00	28.75	0.27	0.43
2	Σ_g	783	783	0.00	38.02	0.27	0.43
3	Σ_u	2435	2435	2904.99	0.00	0.00	0.00
4	Σ_u	1609	1609	176.73	0.00	0.00	0.00
5	Π_g	543	543	0.00	0.00	0.75	0.86
5	Π_g	543	543	0.00	0.00	0.75	0.86
6	Π_u	588	588	84.48	0.00	0.00	0.00
6	Π_u	588	588	84.48	0.00	0.00	0.00
7	Π_u	141	141	0.34	0.00	0.00	0.00
7	Π_u	141	141	0.34	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	1.274
C3	0.000	0.000	-1.274
O4	0.000	0.000	2.457
O5	0.000	0.000	-2.457

	C1	C2	C3	O4	O5
C1		1.2736	1.2736	2.4565	2.4565
C2	1.2736		2.5471	1.1830	3.7301
C3	1.2736	2.5471		3.7301	1.1830
O4	2.4565	1.1830	3.7301		4.9131
O5	2.4565	3.7301	1.1830	4.9131

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

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	0.287
2	C	0.140
3	C	0.140
4	O	-0.283
5	O	-0.283

<r²>	134.187
(<r²>)^1/2	11.584

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

using model chemistry: wB97X-D/6-31G

States and conformations

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