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	hartrees
Energy at 0K	-263.179653
Energy at 298.15K	-263.178846
HF Energy	-263.179653
Nuclear repulsion energy	122.698653

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	2354	2118	0.00	35.48	0.31	0.48
2	Σ_g	816	735	0.00	40.14	0.25	0.40
3	Σ_u	2435	2191	5760.49	0.00	0.00	0.00
4	Σ_u	1703	1533	344.90	0.00	0.00	0.00
5	Π_g	650	585	0.00	0.05	0.75	0.86
5	Π_g	650	585	0.00	0.05	0.75	0.86
6	Π_u	739	665	207.15	0.00	0.00	0.00
6	Π_u	739	665	207.15	0.00	0.00	0.00
7	Π_u	159	143	0.00	0.00	0.00	0.00
7	Π_u	159	143	0.00	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	1.269
C3	0.000	0.000	-1.269
O4	0.000	0.000	2.434
O5	0.000	0.000	-2.434

	C1	C2	C3	O4	O5
C1		1.2691	1.2691	2.4337	2.4337
C2	1.2691		2.5382	1.1646	3.7028
C3	1.2691	2.5382		3.7028	1.1646
O4	2.4337	1.1646	3.7028		4.8675
O5	2.4337	3.7028	1.1646	4.8675

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: HF/LANL2DZ

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	-0.637
2	C	0.591
3	C	0.591
4	O	-0.272
5	O	-0.272

<r²>	133.337
(<r²>)^1/2	11.547

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

using model chemistry: HF/LANL2DZ

States and conformations

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