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	hartrees
Energy at 0K	-264.216542
Energy at 298.15K
HF Energy	-263.365923
Nuclear repulsion energy	123.002216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2311	2189	0.00
2	Σ_g	794	753	0.00
3	Σ_u	2407	2281	4171.80
4	Σ_u	1682	1594	106.34
5	Π_g	601	569	0.00
5	Π_g	601	569	0.00
6	Π_u	534	506	90.57
6	Π_u	534	506	90.57
7	Π_u	144i	136i	5.44
7	Π_u	144i	136i	5.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.271
C3	0.000	0.000	-1.271
O4	0.000	0.000	2.428
O5	0.000	0.000	-2.428

	C1	C2	C3	O4	O5
C1		1.2714	1.2714	2.4282	2.4282
C2	1.2714		2.5429	1.1567	3.6996
C3	1.2714	2.5429		3.6996	1.1567
O4	2.4282	1.1567	3.6996		4.8564
O5	2.4282	3.6996	1.1567	4.8564

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/TZVP

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/TZVP

States and conformations

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