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	hartrees
Energy at 0K	-264.719952
Energy at 298.15K	-264.718672
HF Energy	-264.719952
Nuclear repulsion energy	123.041006

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	2314	2214	0.00	45.77	0.32	0.48
2	Σ_g	792	758	0.00	34.02	0.25	0.40
3	Σ_u	2444	2338	3015.29	0.00	0.00	0.00
4	Σ_u	1676	1603	93.78	0.00	0.00	0.00
5	Π_g	606	579	0.00	0.28	0.75	0.86
5	Π_g	606	579	0.00	0.28	0.75	0.86
6	Π_u	601	575	77.40	0.00	0.00	0.00
6	Π_u	601	575	77.40	0.00	0.00	0.00
7	Π_u	72	69	0.43	0.00	0.00	0.00
7	Π_u	72	69	0.43	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	1.271
C3	0.000	0.000	-1.271
O4	0.000	0.000	2.427
O5	0.000	0.000	-2.427

	C1	C2	C3	O4	O5
C1		1.2712	1.2712	2.4274	2.4274
C2	1.2712		2.5425	1.1562	3.6987
C3	1.2712	2.5425		3.6987	1.1562
O4	2.4274	1.1562	3.6987		4.8549
O5	2.4274	3.6987	1.1562	4.8549

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: mPW1PW91/6-311G**

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	-0.138
2	C	0.274
3	C	0.274
4	O	-0.205
5	O	-0.205

<r²>	131.176
(<r²>)^1/2	11.453

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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