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	hartrees
Energy at 0K	-264.799748
Energy at 298.15K	-264.798458
HF Energy	-264.799748
Nuclear repulsion energy	122.738821

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	2274	2199	0.00	45.13	0.32	0.48
2	Σ_g	783	757	0.00	34.05	0.25	0.40
3	Σ_u	2411	2331	2839.50	0.00	0.00	0.00
4	Σ_u	1650	1595	100.30	0.00	0.00	0.00
5	Π_g	596	577	0.00	0.31	0.75	0.86
5	Π_g	596	577	0.00	0.31	0.75	0.86
6	Π_u	592	572	70.80	0.00	0.00	0.00
6	Π_u	592	572	70.80	0.00	0.00	0.00
7	Π_u	76	73	0.24	0.00	0.00	0.00
7	Π_u	76	73	0.24	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	1.273
C3	0.000	0.000	-1.273
O4	0.000	0.000	2.433
O5	0.000	0.000	-2.433

	C1	C2	C3	O4	O5
C1		1.2726	1.2726	2.4333	2.4333
C2	1.2726		2.5451	1.1607	3.7058
C3	1.2726	2.5451		3.7058	1.1607
O4	2.4333	1.1607	3.7058		4.8665
O5	2.4333	3.7058	1.1607	4.8665

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: B3LYP/6-311G**

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	-0.107
2	C	0.237
3	C	0.237
4	O	-0.183
5	O	-0.183

<r²>	131.794
(<r²>)^1/2	11.480

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

using model chemistry: B3LYP/6-311G**

States and conformations

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