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	hartrees
Energy at 0K	-263.236511
Energy at 298.15K	-263.235670
HF Energy	-263.236511
Nuclear repulsion energy	120.393373

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	2131	2119	0.00	23.36	0.28	0.44
2	Σ_g	756	752	0.00	30.17	0.29	0.44
3	Σ_u	2377	2363	1480.35	0.00	0.00	0.00
4	Σ_u	1540	1532	83.50	0.00	0.00	0.00
5	Π_g	613	610	0.00	0.03	0.75	0.86
5	Π_g	613	610	0.00	0.03	0.75	0.86
6	Π_u	781	777	52.77	0.00	0.00	0.00
6	Π_u	781	777	52.77	0.00	0.00	0.00
7	Π_u	154	153	0.25	0.00	0.00	0.00
7	Π_u	154	153	0.25	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	1.277
C3	0.000	0.000	-1.277
O4	0.000	0.000	2.479
O5	0.000	0.000	-2.479

	C1	C2	C3	O4	O5
C1		1.2775	1.2775	2.4793	2.4793
C2	1.2775		2.5550	1.2018	3.7568
C3	1.2775	2.5550		3.7568	1.2018
O4	2.4793	1.2018	3.7568		4.9586
O5	2.4793	3.7568	1.2018	4.9586

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/3-21G

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	0.415
2	C	0.176
3	C	0.176
4	O	-0.384
5	O	-0.384

<r²>	135.423
(<r²>)^1/2	11.637

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

using model chemistry: BLYP/3-21G

States and conformations

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