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	hartrees
Energy at 0K	-264.493234
Energy at 298.15K	-264.492050
HF Energy	-264.235155
Nuclear repulsion energy	121.702304

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	2249	2133	0.00	54.57	0.29	0.45
2	Σ_g	782	741	0.00	44.12	0.27	0.43
3	Σ_u	2431	2306	2403.15	0.00	0.00	0.00
4	Σ_u	1626	1542	92.69	0.00	0.00	0.00
5	Π_g	575	545	0.00	0.18	0.75	0.86
5	Π_g	575	545	0.00	0.18	0.75	0.86
6	Π_u	579	550	62.43	0.00	0.00	0.00
6	Π_u	579	550	62.43	0.00	0.00	0.00
7	Π_u	125	118	0.05	0.00	0.00	0.00
7	Π_u	125	118	0.05	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	1.278
C3	0.000	0.000	-1.278
O4	0.000	0.000	2.454
O5	0.000	0.000	-2.454

	C1	C2	C3	O4	O5
C1		1.2778	1.2778	2.4535	2.4535
C2	1.2778		2.5555	1.1758	3.7313
C3	1.2778	2.5555		3.7313	1.1758
O4	2.4535	1.1758	3.7313		4.9070
O5	2.4535	3.7313	1.1758	4.9070

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

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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