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	hartrees
Energy at 0K	-264.330363
Energy at 298.15K	-264.329203
HF Energy	-264.330363
Nuclear repulsion energy	121.348053

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	2227	2128	0.00	29.58	0.27	0.43
2	Σ_g	781	747	0.00	36.59	0.27	0.42
3	Σ_u	2444	2336	2530.90	0.00	0.00	0.00
4	Σ_u	1600	1529	173.47	0.00	0.00	0.00
5	Π_g	540	516	0.00	0.00	0.75	0.86
5	Π_g	540	516	0.00	0.00	0.75	0.86
6	Π_u	580	555	72.12	0.00	0.00	0.00
6	Π_u	580	555	72.12	0.00	0.00	0.00
7	Π_u	143	136	0.47	0.00	0.00	0.00
7	Π_u	143	136	0.47	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	1.274
C3	0.000	0.000	-1.274
O4	0.000	0.000	2.460
O5	0.000	0.000	-2.460

	C1	C2	C3	O4	O5
C1		1.2743	1.2743	2.4602	2.4602
C2	1.2743		2.5486	1.1859	3.7345
C3	1.2743	2.5486		3.7345	1.1859
O4	2.4602	1.1859	3.7345		4.9204
O5	2.4602	3.7345	1.1859	4.9204

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: PBE1PBE/6-31G

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	0.299
2	C	0.143
3	C	0.143
4	O	-0.293
5	O	-0.293

<r²>	134.465
(<r²>)^1/2	11.596

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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