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	hartrees
Energy at 0K	-264.635078
Energy at 298.15K	-264.633931
HF Energy	-264.635078
Nuclear repulsion energy	122.425138

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	2321	2216	0.00	42.16	0.28	0.44
2	Σ_g	797	761	0.00	33.85	0.26	0.42
3	Σ_u	2453	2343	2842.40	0.00	0.00	0.00
4	Σ_u	1680	1604	85.84	0.00	0.00	0.00
5	Π_g	589	562	0.00	0.19	0.75	0.86
5	Π_g	589	562	0.00	0.19	0.75	0.86
6	Π_u	596	569	74.67	0.00	0.00	0.00
6	Π_u	596	569	74.67	0.00	0.00	0.00
7	Π_u	120	114	0.00	0.00	0.00	0.00
7	Π_u	120	114	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	1.275
C3	0.000	0.000	-1.275
O4	0.000	0.000	2.439
O5	0.000	0.000	-2.439

	C1	C2	C3	O4	O5
C1		1.2751	1.2751	2.4394	2.4394
C2	1.2751		2.5502	1.1643	3.7145
C3	1.2751	2.5502		3.7145	1.1643
O4	2.4394	1.1643	3.7145		4.8788
O5	2.4394	3.7145	1.1643	4.8788

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: B1B95/6-31G**

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	0.382
2	C	0.164
3	C	0.164
4	O	-0.355
5	O	-0.355

<r²>	132.024
(<r²>)^1/2	11.490

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

using model chemistry: B1B95/6-31G**

States and conformations

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