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	hartrees
Energy at 0K	-264.623060
Energy at 298.15K
HF Energy	-264.331890
Nuclear repulsion energy	122.530129

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	2240	2240	0.00	73.23	0.39	0.56
2	Σ_g	779	779	0.00	50.87	0.23	0.38
3	Σ_u	2411	2411	2800.26	0.00	0.00	0.00
4	Σ_u	1626	1626	113.29	0.00	0.00	0.00
5	Π_g	578	578	0.00	0.25	0.75	0.86
5	Π_g	578	578	0.00	0.25	0.75	0.86
6	Π_u	547	547	68.82	0.00	0.00	0.00
6	Π_u	547	547	68.82	0.00	0.00	0.00
7	Π_u	25i	25i	0.82	0.00	0.00	0.00
7	Π_u	25i	25i	0.82	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	2.437
O5	0.000	0.000	-2.437

	C1	C2	C3	O4	O5
C1		1.2717	1.2717	2.4371	2.4371
C2	1.2717		2.5434	1.1654	3.7089
C3	1.2717	2.5434		3.7089	1.1654
O4	2.4371	1.1654	3.7089		4.8743
O5	2.4371	3.7089	1.1654	4.8743

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=FULLultrafine/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: B2PLYP=FULLultrafine/TZVP

States and conformations

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