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	hartrees
Energy at 0K	-264.457980
Energy at 298.15K	-264.457026
HF Energy	-264.457980
Nuclear repulsion energy	120.994841

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	2197	2172	0.00	68.28	0.43	0.60
2	Σ_g	764	755	0.00	42.27	0.22	0.35
3	Σ_u	2374	2347	2313.61	0.00	0.00	0.00
4	Σ_u	1589	1571	111.53	0.00	0.00	0.00
5	Π_g	567	560	0.00	0.42	0.75	0.86
5	Π_g	567	560	0.00	0.42	0.75	0.86
6	Π_u	670	662	42.99	0.00	0.00	0.00
6	Π_u	670	662	42.99	0.00	0.00	0.00
7	Π_u	166	164	0.87	0.00	0.00	0.00
7	Π_u	166	164	0.87	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	1.285
C3	0.000	0.000	-1.285
O4	0.000	0.000	2.468
O5	0.000	0.000	-2.468

	C1	C2	C3	O4	O5
C1		1.2855	1.2855	2.4679	2.4679
C2	1.2855		2.5710	1.1824	3.7534
C3	1.2855	2.5710		3.7534	1.1824
O4	2.4679	1.1824	3.7534		4.9358
O5	2.4679	3.7534	1.1824	4.9358

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: PBEPBE/6-31+G**

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	1.765
2	C	-0.355
3	C	-0.355
4	O	-0.528
5	O	-0.528

<r²>	135.194
(<r²>)^1/2	11.627

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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