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	hartrees
Energy at 0K	-264.092793
Energy at 298.15K
HF Energy	-263.305868
Nuclear repulsion energy	120.794566

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	2135	0.00	145.74	0.42	0.59
2	Σ_g	761	738	0.00	82.43	0.21	0.35
3	Σ_u	2436	2361	2849.49	0.00	0.00	0.00
4	Σ_u	1583	1535	117.06	0.00	0.00	0.00
5	Π_g	574	557	0.00	1.05	0.75	0.86
5	Π_g	574	557	0.00	1.05	0.75	0.86
6	Π_u	516	500	32.47	0.00	0.00	0.00
6	Π_u	516	500	32.47	0.00	0.00	0.00
7	Π_u	85i	82i	0.27	0.00	0.00	0.00
7	Π_u	85i	82i	0.27	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	2.472
O5	0.000	0.000	-2.472

	C1	C2	C3	O4	O5
C1		1.2913	1.2913	2.4723	2.4723
C2	1.2913		2.5826	1.1810	3.7636
C3	1.2913	2.5826		3.7636	1.1810
O4	2.4723	1.1810	3.7636		4.9445
O5	2.4723	3.7636	1.1810	4.9445

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/aug-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/aug-cc-pVDZ

States and conformations

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