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	hartrees
Energy at 0K	-264.723916
Energy at 298.15K
HF Energy	-264.723916
Nuclear repulsion energy	123.218877

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	2321	2218	0.00	70.75	0.52	0.68
2	Σ_g	795	760	0.00	43.58	0.16	0.27
3	Σ_u	2397	2291	3961.23	0.00	0.00	0.00
4	Σ_u	1691	1616	87.52	0.00	0.00	0.00
5	Π_g	610	583	0.00	0.74	0.75	0.86
5	Π_g	610	583	0.00	0.74	0.75	0.86
6	Π_u	588	562	55.24	0.00	0.00	0.00
6	Π_u	588	562	55.24	0.00	0.00	0.00
7	Π_u	26i	25i	0.09	0.00	0.00	0.00
7	Π_u	26i	25i	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	2.424
O5	0.000	0.000	-2.424

	C1	C2	C3	O4	O5
C1		1.2723	1.2723	2.4242	2.4242
C2	1.2723		2.5447	1.1519	3.6965
C3	1.2723	2.5447		3.6965	1.1519
O4	2.4242	1.1519	3.6965		4.8484
O5	2.4242	3.6965	1.1519	4.8484

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: M06-2X/aug-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	1.536
2	C	-0.322
3	C	-0.322
4	O	-0.446
5	O	-0.446

<r²>	131.297
(<r²>)^1/2	11.458

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

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

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