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	hartrees
Energy at 0K	-264.796368
Energy at 298.15K	-264.794901
HF Energy	-264.796368
Nuclear repulsion energy	121.715985

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	2171	2164	0.00	53.69	0.35	0.52
2	Σ_g	757	755	0.00	36.21	0.23	0.38
3	Σ_u	2337	2330	2266.29	0.00	0.00	0.00
4	Σ_u	1576	1572	101.24	0.00	0.00	0.00
5	Π_g	555	553	0.00	0.73	0.75	0.86
5	Π_g	555	553	0.00	0.73	0.75	0.86
6	Π_u	525	523	40.22	0.00	0.00	0.00
6	Π_u	525	523	40.22	0.00	0.00	0.00
7	Π_u	68	68	0.02	0.00	0.00	0.00
7	Π_u	68	68	0.02	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	1.279
C3	0.000	0.000	-1.279
O4	0.000	0.000	2.453
O5	0.000	0.000	-2.453

	C1	C2	C3	O4	O5
C1		1.2789	1.2789	2.4533	2.4533
C2	1.2789		2.5578	1.1744	3.7323
C3	1.2789	2.5578		3.7323	1.1744
O4	2.4533	1.1744	3.7323		4.9067
O5	2.4533	3.7323	1.1744	4.9067

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: BLYP/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	-0.057
2	C	0.169
3	C	0.169
4	O	-0.140
5	O	-0.140

<r²>	133.652
(<r²>)^1/2	11.561

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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