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	hartrees
Energy at 0K	-264.825232
Energy at 298.15K	-264.823837
HF Energy	-264.825232
Nuclear repulsion energy	122.833417

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	2264	2189	0.00	53.36	0.36	0.53
2	Σ_g	783	757	0.00	35.49	0.23	0.37
3	Σ_u	2395	2315	2941.98	0.00	0.00	0.00
4	Σ_u	1647	1592	95.44	0.00	0.00	0.00
5	Π_g	589	569	0.00	0.67	0.75	0.86
5	Π_g	589	569	0.00	0.67	0.75	0.86
6	Π_u	568	549	54.95	0.00	0.00	0.00
6	Π_u	568	549	54.95	0.00	0.00	0.00
7	Π_u	57	55	0.09	0.00	0.00	0.00
7	Π_u	57	55	0.09	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		1.2716	1.2716	2.4314	2.4314
C2	1.2716		2.5431	1.1598	3.7029
C3	1.2716	2.5431		3.7029	1.1598
O4	2.4314	1.1598	3.7029		4.8628
O5	2.4314	3.7029	1.1598	4.8628

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/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	-0.093
2	C	0.202
3	C	0.202
4	O	-0.156
5	O	-0.156

<r²>	131.692
(<r²>)^1/2	11.476

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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