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	hartrees
Energy at 0K	-264.540678
Energy at 298.15K
HF Energy	-264.273307
Nuclear repulsion energy	121.525879

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	2130	0.00	91.42	0.45	0.62
2	Σ_g	770	740	0.00	56.29	0.19	0.32
3	Σ_u	2396	2304	2823.56	0.00	0.00	0.00
4	Σ_u	1602	1541	125.80	0.00	0.00	0.00
5	Π_g	571	549	0.00	1.00	0.75	0.86
5	Π_g	571	549	0.00	1.00	0.75	0.86
6	Π_u	514	494	38.77	0.00	0.00	0.00
6	Π_u	514	494	38.77	0.00	0.00	0.00
7	Π_u	59i	57i	0.13	0.00	0.00	0.00
7	Π_u	59i	57i	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		1.2844	1.2844	2.4575	2.4575
C2	1.2844		2.5688	1.1730	3.7419
C3	1.2844	2.5688		3.7419	1.1730
O4	2.4575	1.1730	3.7419		4.9149
O5	2.4575	3.7419	1.1730	4.9149

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/aug-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=FULL/aug-cc-pVDZ

States and conformations

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