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	hartrees
Energy at 0K	-264.757100
Energy at 298.15K	-264.755730
HF Energy	-264.757100
Nuclear repulsion energy	123.131249

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	2300	2300	0.00	58.11	0.42	0.59
2	Σ_g	791	791	0.00	38.29	0.21	0.34
3	Σ_u	2420	2420	3151.05	0.00	0.00	0.00
4	Σ_u	1672	1672	89.24	0.00	0.00	0.00
5	Π_g	599	599	0.00	0.56	0.75	0.86
5	Π_g	599	599	0.00	0.56	0.75	0.86
6	Π_u	579	579	57.45	0.00	0.00	0.00
6	Π_u	579	579	57.45	0.00	0.00	0.00
7	Π_u	58	58	0.14	0.00	0.00	0.00
7	Π_u	58	58	0.14	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	2.426
O5	0.000	0.000	-2.426

	C1	C2	C3	O4	O5
C1		1.2710	1.2710	2.4257	2.4257
C2	1.2710		2.5419	1.1548	3.6967
C3	1.2710	2.5419		3.6967	1.1548
O4	2.4257	1.1548	3.6967		4.8514
O5	2.4257	3.6967	1.1548	4.8514

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/Def2TZVPP

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	-0.397
2	C	0.329
3	C	0.329
4	O	-0.130
5	O	-0.130

<r²>	131.121
(<r²>)^1/2	11.451

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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