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	hartrees
Energy at 0K	-189.257209
Energy at 298.15K	-189.254944
HF Energy	-189.257209
Nuclear repulsion energy	76.649521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2359	2269	1646.88
2	Σ	1994	1918	58.85
3	Σ	973	936	1.27
4	Π	610	587	23.40
4	Π	610	587	23.40
5	Π	136	130	6.34
5	Π	136	130	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.023
C2	0.000	0.000	-0.757
C3	0.000	0.000	0.537
O4	0.000	0.000	1.682

	C1	C2	C3	O4
C1		1.2665	2.5608	3.7059
C2	1.2665		1.2943	2.4394
C3	2.5608	1.2943		1.1450
O4	3.7059	2.4394	1.1450

Number	Element	Mulliken
1	C	-0.850
2	C	1.015
3	C	-0.017
4	O	-0.147

All results from a given calculation for C₃O (Tricarbon monoxide)

using model chemistry: HSEh1PBE/aug-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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<r²>	67.535
(<r²>)^1/2	8.218

All results from a given calculation for C3O (Tricarbon monoxide)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃O (Tricarbon monoxide)