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	hartrees
Energy at 0K	-262.346392
Energy at 298.15K	-262.345203
HF Energy	-261.800195
Nuclear repulsion energy	120.443356

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	2168	2055	0.00	62.99	0.29	0.46
2	Σ_g	762	722	0.00	65.47	0.30	0.46
3	Σ_u	2458	2330	1842.95	0.00	0.00	0.00
4	Σ_u	1557	1476	55.57	0.00	0.00	0.00
5	Π_g	616	584	0.00	0.01	0.75	0.86
5	Π_g	616	584	0.00	0.01	0.75	0.86
6	Π_u	690	654	61.45	0.00	0.00	0.00
6	Π_u	690	654	61.45	0.00	0.00	0.00
7	Π_u	75	71	0.40	0.00	0.00	0.00
7	Π_u	75	71	0.40	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	1.276
C3	0.000	0.000	-1.276
O4	0.000	0.000	2.478
O5	0.000	0.000	-2.478

	C1	C2	C3	O4	O5
C1		1.2757	1.2757	2.4782	2.4782
C2	1.2757		2.5514	1.2025	3.7539
C3	1.2757	2.5514		3.7539	1.2025
O4	2.4782	1.2025	3.7539		4.9564
O5	2.4782	3.7539	1.2025	4.9564

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/3-21G*

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/3-21G*

States and conformations

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