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	hartrees
Energy at 0K	-264.672434
Energy at 298.15K	-264.671056
HF Energy	-264.340170
Nuclear repulsion energy	122.603629

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	2227	2137	0.00	91.20	0.46	0.63
2	Σ_g	776	744	0.00	54.87	0.18	0.30
3	Σ_u	2393	2296	2876.60	0.00	0.00	0.00
4	Σ_u	1619	1553	112.01	0.00	0.00	0.00
5	Π_g	585	562	0.00	0.93	0.75	0.86
5	Π_g	585	562	0.00	0.93	0.75	0.86
6	Π_u	556	534	39.93	0.00	0.00	0.00
6	Π_u	556	534	39.93	0.00	0.00	0.00
7	Π_u	68	65	0.00	0.00	0.00	0.00
7	Π_u	68	65	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	1.272
C3	0.000	0.000	-1.272
O4	0.000	0.000	2.436
O5	0.000	0.000	-2.436

	C1	C2	C3	O4	O5
C1		1.2717	1.2717	2.4357	2.4357
C2	1.2717		2.5435	1.1640	3.7075
C3	1.2717	2.5435		3.7075	1.1640
O4	2.4357	1.1640	3.7075		4.8715
O5	2.4357	3.7075	1.1640	4.8715

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: B2PLYP=FULL/aug-cc-pVTZ

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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