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	hartrees
Energy at 0K	-264.662019
Energy at 298.15K
HF Energy	-264.662019
Nuclear repulsion energy	122.480265

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	2322	2322	0.00	68.93	0.48	0.65
2	Σ_g	794	794	0.00	42.84	0.17	0.29
3	Σ_u	2414	2414	3863.97	0.00	0.00	0.00
4	Σ_u	1686	1686	102.30	0.00	0.00	0.00
5	Π_g	600	600	0.00	0.79	0.75	0.86
5	Π_g	600	600	0.00	0.79	0.75	0.86
6	Π_u	555	555	52.08	0.00	0.00	0.00
6	Π_u	555	555	52.08	0.00	0.00	0.00
7	Π_u	76i	76i	0.33	0.00	0.00	0.00
7	Π_u	76i	76i	0.33	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	1.281
C3	0.000	0.000	-1.281
O4	0.000	0.000	2.439
O5	0.000	0.000	-2.439

	C1	C2	C3	O4	O5
C1		1.2813	1.2813	2.4389	2.4389
C2	1.2813		2.5625	1.1577	3.7202
C3	1.2813	2.5625		3.7202	1.1577
O4	2.4389	1.1577	3.7202		4.8779
O5	2.4389	3.7202	1.1577	4.8779

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: M06-2X/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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<r²>	132.734
(<r²>)^1/2	11.521

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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