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	hartrees
Energy at 0K	-264.476355
Energy at 298.15K	-264.475138
HF Energy	-264.476355
Nuclear repulsion energy	122.864437

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	2315	2217	0.00	43.58	0.29	0.45
2	Σ_g	795	761	0.00	33.13	0.24	0.39
3	Σ_u	2447	2344	2802.11	0.00	0.00	0.00
4	Σ_u	1674	1603	72.79	0.00	0.00	0.00
5	Π_g	613	587	0.00	0.68	0.75	0.86
5	Π_g	613	587	0.00	0.68	0.75	0.86
6	Π_u	620	594	58.26	0.00	0.00	0.00
6	Π_u	620	594	58.26	0.00	0.00	0.00
7	Π_u	82	79	0.00	0.00	0.00	0.00
7	Π_u	82	79	0.00	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.431
O5	0.000	0.000	-2.431

	C1	C2	C3	O4	O5
C1		1.2721	1.2721	2.4308	2.4308
C2	1.2721		2.5442	1.1587	3.7029
C3	1.2721	2.5442		3.7029	1.1587
O4	2.4308	1.1587	3.7029		4.8617
O5	2.4308	3.7029	1.1587	4.8617

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: HSEh1PBE/6-31G(2df,p)

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	-0.635
2	C	0.534
3	C	0.534
4	O	-0.216
5	O	-0.216

<r²>	131.148
(<r²>)^1/2	11.452

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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