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	hartrees
Energy at 0K	-189.198511
Energy at 298.15K	-189.196303
HF Energy	-189.198511
Nuclear repulsion energy	75.232583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2291	2277	1105.07
2	Σ	1900	1889	21.14
3	Σ	936	931	4.77
4	Π	582	579	18.17
4	Π	582	579	18.17
5	Π	167	166	6.70
5	Π	167	166	6.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.062
C2	0.000	0.000	-0.767
C3	0.000	0.000	0.544
O4	0.000	0.000	1.714

	C1	C2	C3	O4
C1		1.2945	2.6057	3.7756
C2	1.2945		1.3113	2.4812
C3	2.6057	1.3113		1.1699
O4	3.7756	2.4812	1.1699

Number	Element	Mulliken
1	C	-0.183
2	C	0.144
3	C	0.035
4	O	0.004

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

using model chemistry: PBEPBE/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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<r²>	69.129
(<r²>)^1/2	8.314

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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