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	hartrees
Energy at 0K	-264.723903
Energy at 298.15K
HF Energy	-264.723903
Nuclear repulsion energy	123.221041

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	2306	2306	0.00	71.97	0.51	0.68
2	Σ_g	792	792	0.00	44.58	0.15	0.27
3	Σ_u	2407	2407	3645.16	0.00	0.00	0.00
4	Σ_u	1678	1678	82.38	0.00	0.00	0.00
5	Π_g	603	603	0.00	0.96	0.75	0.86
5	Π_g	603	603	0.00	0.96	0.75	0.86
6	Π_u	575	575	51.01	0.00	0.00	0.00
6	Π_u	575	575	51.01	0.00	0.00	0.00
7	Π_u	37i	37i	0.18	0.00	0.00	0.00
7	Π_u	37i	37i	0.18	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	1.270
C3	0.000	0.000	-1.270
O4	0.000	0.000	2.424
O5	0.000	0.000	-2.424

	C1	C2	C3	O4	O5
C1		1.2703	1.2703	2.4240	2.4240
C2	1.2703		2.5405	1.1537	3.6942
C3	1.2703	2.5405		3.6942	1.1537
O4	2.4240	1.1537	3.6942		4.8479
O5	2.4240	3.6942	1.1537	4.8479

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: wB97X-D/daug-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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Number	Element	Mulliken
1	C	-1.245
2	C	1.832
3	C	1.832
4	O	-1.210
5	O	-1.210

<r²>	131.021
(<r²>)^1/2	11.446

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

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

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