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	hartrees
Energy at 0K	-264.377728
Energy at 298.15K	-264.376437
HF Energy	-263.375195
Nuclear repulsion energy	122.492203

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	2234	2126	0.00	139.29	0.43	0.60
2	Σ_g	774	736	0.00	76.52	0.20	0.33
3	Σ_u	2456	2337	2907.89	0.00	0.00	0.00
4	Σ_u	1614	1536	101.00	0.00	0.00	0.00
5	Π_g	590	562	0.00	0.99	0.75	0.86
5	Π_g	590	562	0.00	0.99	0.75	0.86
6	Π_u	564	537	32.70	0.00	0.00	0.00
6	Π_u	564	537	32.70	0.00	0.00	0.00
7	Π_u	87	83	0.00	0.00	0.00	0.00
7	Π_u	87	83	0.00	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	1.271
C3	0.000	0.000	-1.271
O4	0.000	0.000	2.438
O5	0.000	0.000	-2.438

	C1	C2	C3	O4	O5
C1		1.2714	1.2714	2.4378	2.4378
C2	1.2714		2.5429	1.1664	3.7093
C3	1.2714	2.5429		3.7093	1.1664
O4	2.4378	1.1664	3.7093		4.8757
O5	2.4378	3.7093	1.1664	4.8757

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: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

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