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	hartrees
Energy at 0K	-264.648965
Energy at 298.15K	-264.647389
HF Energy	-264.340318
Nuclear repulsion energy	122.454458

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	2222	2222	0.00	89.20	0.47	0.64
2	Σ_g	773	773	0.00	54.94	0.18	0.30
3	Σ_u	2384	2384	2867.31	0.00	0.00	0.00
4	Σ_u	1613	1613	109.31	0.00	0.00	0.00
5	Π_g	580	580	0.00	1.06	0.75	0.86
5	Π_g	580	580	0.00	1.06	0.75	0.86
6	Π_u	538	538	39.54	0.00	0.18	0.30
6	Π_u	538	538	39.54	0.00	0.75	0.86
7	Π_u	28	28	0.03	0.00	0.28	0.44
7	Π_u	28	28	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	1.273
C3	0.000	0.000	-1.273
O4	0.000	0.000	2.439
O5	0.000	0.000	-2.439

	C1	C2	C3	O4	O5
C1		1.2733	1.2733	2.4387	2.4387
C2	1.2733		2.5466	1.1654	3.7120
C3	1.2733	2.5466		3.7120	1.1654
O4	2.4387	1.1654	3.7120		4.8774
O5	2.4387	3.7120	1.1654	4.8774

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: B2PLYP/daug-cc-pVTZ

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	-0.384
2	C	1.161
3	C	1.161
4	O	-0.969
5	O	-0.969

<r²>	132.518
(<r²>)^1/2	11.512

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

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

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