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	hartrees
Energy at 0K	-262.995258
Energy at 298.15K	-262.994485
HF Energy	-262.995258
Nuclear repulsion energy	121.787152

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	2251	2161	0.00	23.42	0.26	0.42
2	Σ_g	791	760	0.00	30.42	0.28	0.44
3	Σ_u	2472	2373	2082.71	0.00	0.00	0.00
4	Σ_u	1628	1563	101.10	0.00	0.00	0.00
5	Π_g	648	622	0.00	0.00	0.75	0.86
5	Π_g	648	622	0.00	0.00	0.75	0.86
6	Π_u	817	785	87.61	0.00	0.00	0.00
6	Π_u	817	785	87.61	0.00	0.00	0.00
7	Π_u	154	148	0.16	0.00	0.00	0.00
7	Π_u	154	148	0.16	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	1.267
C3	0.000	0.000	-1.267
O4	0.000	0.000	2.451
O5	0.000	0.000	-2.451

	C1	C2	C3	O4	O5
C1		1.2675	1.2675	2.4512	2.4512
C2	1.2675		2.5349	1.1837	3.7186
C3	1.2675	2.5349		3.7186	1.1837
O4	2.4512	1.1837	3.7186		4.9024
O5	2.4512	3.7186	1.1837	4.9024

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: HSEh1PBE/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	0.277
2	C	0.290
3	C	0.290
4	O	-0.429
5	O	-0.429

<r²>	133.148
(<r²>)^1/2	11.539

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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