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	hartrees
Energy at 0K	-264.228972
Energy at 298.15K
HF Energy	-263.361944
Nuclear repulsion energy	122.223683

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	2246	2140	0.00	119.66	0.37	0.54
2	Σ_g	776	740	0.00	75.86	0.25	0.40
3	Σ_u	2467	2351	2835.45	0.00	0.00	0.00
4	Σ_u	1618	1542	96.74	0.00	0.00	0.00
5	Π_g	573	546	0.00	0.20	0.75	0.86
5	Π_g	573	546	0.00	0.20	0.75	0.86
6	Π_u	498	475	57.24	0.00	0.00	0.00
6	Π_u	498	475	57.24	0.00	0.00	0.00
7	Π_u	130i	124i	3.11	0.00	0.00	0.00
7	Π_u	130i	124i	3.11	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	1.273
C3	0.000	0.000	-1.273
O4	0.000	0.000	2.443
O5	0.000	0.000	-2.443

	C1	C2	C3	O4	O5
C1		1.2726	1.2726	2.4431	2.4431
C2	1.2726		2.5452	1.1705	3.7157
C3	1.2726	2.5452		3.7157	1.1705
O4	2.4431	1.1705	3.7157		4.8861
O5	2.4431	3.7157	1.1705	4.8861

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/TZVP

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/TZVP

States and conformations

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