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	hartrees
Energy at 0K	-47.777752
Energy at 298.15K	-47.776954
HF Energy	-47.777752
Nuclear repulsion energy	59.468370

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	2479	2226	0.00	50.78	0.32	0.48
2	Σ_g	831	747	0.00	36.40	0.26	0.41
3	Σ_u	2501	2246	6059.86	0.00	0.00	0.00
4	Σ_u	1791	1608	91.79	0.00	0.00	0.00
5	Π_g	658	591	0.00	0.90	0.75	0.86
5	Π_g	658	591	0.00	0.90	0.75	0.86
6	Π_u	675	606	182.09	0.00	0.00	0.00
6	Π_u	675	606	182.09	0.00	0.00	0.00
7	Π_u	177	159	0.63	0.00	0.00	0.00
7	Π_u	177	159	0.63	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	1.296
C3	0.000	0.000	-1.296
O4	0.000	0.000	2.447
O5	0.000	0.000	-2.447

	C1	C2	C3	O4	O5
C1		1.2957	1.2957	2.4466	2.4466
C2	1.2957		2.5914	1.1509	3.7423
C3	1.2957	2.5914		3.7423	1.1509
O4	2.4466	1.1509	3.7423		4.8933
O5	2.4466	3.7423	1.1509	4.8933

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: HF/CEP-31G*

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	1.811
2	C	-0.893
3	C	-0.893
4	O	-0.013
5	O	-0.013

<r²>	103.378
(<r²>)^1/2	10.168

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

using model chemistry: HF/CEP-31G*

States and conformations

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