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	hartrees
Energy at 0K	-264.543158
Energy at 298.15K
HF Energy	-264.274681
Nuclear repulsion energy	121.559784

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	2215	2215	0.00	88.12	0.47	0.64
2	Σ_g	770	770	0.00	57.29	0.18	0.30
3	Σ_u	2397	2397	2818.70	0.00	0.74	0.85
4	Σ_u	1603	1603	123.21	0.00	0.74	0.85
5	Π_g	575	575	0.00	0.98	0.75	0.86
5	Π_g	575	575	0.00	0.98	0.75	0.86
6	Π_u	518	518	38.61	0.00	0.00	0.00
6	Π_u	518	518	38.61	0.00	0.00	0.00
7	Π_u	43i	43i	0.13	0.00	0.43	0.00
7	Π_u	43i	43i	0.13	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	1.284
C3	0.000	0.000	-1.284
O4	0.000	0.000	2.457
O5	0.000	0.000	-2.457

	C1	C2	C3	O4	O5
C1		1.2838	1.2838	2.4568	2.4568
C2	1.2838		2.5677	1.1729	3.7406
C3	1.2838	2.5677		3.7406	1.1729
O4	2.4568	1.1729	3.7406		4.9135
O5	2.4568	3.7406	1.1729	4.9135

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=FULLultrafine/daug-cc-pVDZ

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=FULLultrafine/daug-cc-pVDZ

States and conformations

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