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	hartrees
Energy at 0K	-264.361180
Energy at 298.15K	-264.359793
HF Energy	-263.387040
Nuclear repulsion energy	123.143590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2304	2304	0.00
2	Σ_g	788	788	0.00
3	Σ_u	2394	2394	4064.55
4	Σ_u	1676	1676	89.29
5	Π_g	611	611	0.00
5	Π_g	611	611	0.00
6	Π_u	589	589	68.78
6	Π_u	589	589	68.78
7	Π_u	47	47	0.63
7	Π_u	47	47	0.63

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	2.426
O5	0.000	0.000	-2.426

	C1	C2	C3	O4	O5
C1		1.2723	1.2723	2.4256	2.4256
C2	1.2723		2.5447	1.1533	3.6980
C3	1.2723	2.5447		3.6980	1.1533
O4	2.4256	1.1533	3.6980		4.8512
O5	2.4256	3.6980	1.1533	4.8512

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: CCSD=FULL/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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All results from a given calculation for C3O2 (Carbon suboxide)

using model chemistry: CCSD=FULL/Def2TZVPP

States and conformations

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