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	hartrees
Energy at 0K	-264.098271
Energy at 298.15K
HF Energy	-263.307832
Nuclear repulsion energy	120.831879

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	2203	2203	0.00	142.17	0.44	0.61
2	Σ_g	761	761	0.00	83.42	0.20	0.33
3	Σ_u	2437	2437	2843.08	0.00	0.00	0.00
4	Σ_u	1585	1585	113.63	0.00	0.00	0.00
5	Π_g	582	582	0.00	1.11	0.75	0.86
5	Π_g	582	582	0.00	1.11	0.75	0.86
6	Π_u	530	530	31.41	0.00	0.00	0.00
6	Π_u	530	530	31.41	0.00	0.00	0.00
7	Π_u	58i	58i	0.19	0.00	0.00	0.00
7	Π_u	58i	58i	0.19	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	1.291
C3	0.000	0.000	-1.291
O4	0.000	0.000	2.471
O5	0.000	0.000	-2.471

	C1	C2	C3	O4	O5
C1		1.2906	1.2906	2.4715	2.4715
C2	1.2906		2.5813	1.1808	3.7621
C3	1.2906	2.5813		3.7621	1.1808
O4	2.4715	1.1808	3.7621		4.9430
O5	2.4715	3.7621	1.1808	4.9430

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: MP2=FULL/daug-cc-pVDZ

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: MP2=FULL/daug-cc-pVDZ

States and conformations

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