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	hartrees
Energy at 0K	-264.661464
Energy at 298.15K	-264.660053
HF Energy	-264.337223
Nuclear repulsion energy	122.597270

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	2238	2139	0.00	69.48	0.35	0.52
2	Σ_g	777	743	0.00	45.36	0.24	0.39
3	Σ_u	2408	2302	2694.55	0.00	0.00	0.00
4	Σ_u	1622	1551	97.17	0.00	0.00	0.00
5	Π_g	584	559	0.00	0.66	0.75	0.86
5	Π_g	584	559	0.00	0.66	0.75	0.86
6	Π_u	556	531	49.31	0.00	0.00	0.00
6	Π_u	556	531	49.31	0.00	0.00	0.00
7	Π_u	59	56	0.13	0.00	0.00	0.00
7	Π_u	59	56	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.436
O5	0.000	0.000	-2.436

	C1	C2	C3	O4	O5
C1		1.2716	1.2716	2.4359	2.4359
C2	1.2716		2.5433	1.1642	3.7075
C3	1.2716	2.5433		3.7075	1.1642
O4	2.4359	1.1642	3.7075		4.8717
O5	2.4359	3.7075	1.1642	4.8717

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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