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	hartrees
Energy at 0K	-263.266315
Energy at 298.15K	-263.265525
HF Energy	-263.266315
Nuclear repulsion energy	121.559893

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	2220	2142	0.00	23.28	0.27	0.42
2	Σ_g	784	756	0.00	30.37	0.28	0.44
3	Σ_u	2443	2358	1987.89	0.00	0.00	0.00
4	Σ_u	1608	1551	100.62	0.00	0.00	0.00
5	Π_g	638	616	0.00	0.01	0.75	0.86
5	Π_g	638	616	0.00	0.01	0.75	0.86
6	Π_u	804	776	78.35	0.00	0.00	0.00
6	Π_u	804	776	78.35	0.00	0.00	0.00
7	Π_u	153	148	0.22	0.00	0.00	0.00
7	Π_u	153	148	0.22	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	1.269
C3	0.000	0.000	-1.269
O4	0.000	0.000	2.456
O5	0.000	0.000	-2.456

	C1	C2	C3	O4	O5
C1		1.2687	1.2687	2.4557	2.4557
C2	1.2687		2.5374	1.1870	3.7244
C3	1.2687	2.5374		3.7244	1.1870
O4	2.4557	1.1870	3.7244		4.9114
O5	2.4557	3.7244	1.1870	4.9114

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: B3LYPultrafine/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	0.335
2	C	0.248
3	C	0.248
4	O	-0.415
5	O	-0.415

<r²>	133.486
(<r²>)^1/2	11.554

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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