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	hartrees
Energy at 0K	-189.180617
Energy at 298.15K	-189.178435
HF Energy	-189.180617
Nuclear repulsion energy	75.283377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2295	2258	1051.53
2	Σ	1901	1870	24.45
3	Σ	938	923	3.89
4	Π	583	573	20.85
4	Π	583	573	20.85
5	Π	180	177	6.95
5	Π	180	177	6.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.059
C2	0.000	0.000	-0.766
C3	0.000	0.000	0.540
O4	0.000	0.000	1.713

	C1	C2	C3	O4
C1		1.2920	2.5990	3.7719
C2	1.2920		1.3070	2.4799
C3	2.5990	1.3070		1.1729
O4	3.7719	2.4799	1.1729

Number	Element	Mulliken
1	C	-0.160
2	C	0.193
3	C	0.257
4	O	-0.290

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

using model chemistry: PBEPBEultrafine/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>	68.807
(<r²>)^1/2	8.295

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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