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	hartrees
Energy at 0K	-264.357497
Energy at 298.15K
HF Energy	-263.380428
Nuclear repulsion energy	123.730778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2367	2367	0.00
2	Σ_g	805	805	0.00
3	Σ_u	2422	2422	4651.41
4	Σ_u	1706	1706	67.30
5	Π_g	617	617	0.00
5	Π_g	617	617	0.00
6	Π_u	567	567	54.50
6	Π_u	567	567	54.50
7	Π_u	94i	94i	0.63
7	Π_u	94i	94i	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.269
C3	0.000	0.000	-1.269
O4	0.000	0.000	2.414
O5	0.000	0.000	-2.414

	C1	C2	C3	O4	O5
C1		1.2690	1.2690	2.4144	2.4144
C2	1.2690		2.5380	1.1454	3.6834
C3	1.2690	2.5380		3.6834	1.1454
O4	2.4144	1.1454	3.6834		4.8287
O5	2.4144	3.6834	1.1454	4.8287

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: MP3=FULL/daug-cc-pVTZ

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: MP3=FULL/daug-cc-pVTZ

States and conformations

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