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	hartrees
Energy at 0K	-189.364173
Energy at 298.15K	-189.362036
HF Energy	-189.364173
Nuclear repulsion energy	75.222057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2269	2251	1049.98
2	Σ	1886	1870	17.12
3	Σ	932	925	3.89
4	Π	580	576	19.47
4	Π	580	576	19.47
5	Π	196	195	7.87
5	Π	196	195	7.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.059
C2	0.000	0.000	-0.768
C3	0.000	0.000	0.539
O4	0.000	0.000	1.715

	C1	C2	C3	O4
C1		1.2913	2.5982	3.7742
C2	1.2913		1.3069	2.4828
C3	2.5982	1.3069		1.1760
O4	3.7742	2.4828	1.1760

Number	Element	Mulliken
1	C	-0.185
2	C	0.253
3	C	0.234
4	O	-0.302

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

using model chemistry: BLYP/6-31G*

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>	68.901
(<r²>)^1/2	8.301

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

using model chemistry: BLYP/6-31G*

States and conformations

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