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	hartrees
Energy at 0K	-189.252014
Energy at 298.15K	-189.249707
HF Energy	-189.252014
Nuclear repulsion energy	75.855363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2271	2245	1262.85
2	Σ	1900	1879	33.37
3	Σ	934	924	3.55
4	Π	575	569	16.42
4	Π	575	569	16.42
5	Π	138	137	7.78
5	Π	138	137	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.043
C2	0.000	0.000	-0.763
C3	0.000	0.000	0.539
O4	0.000	0.000	1.701

	C1	C2	C3	O4
C1		1.2802	2.5816	3.7435
C2	1.2802		1.3014	2.4634
C3	2.5816	1.3014		1.1619
O4	3.7435	2.4634	1.1619

Number	Element	Mulliken
1	C	-0.716
2	C	0.906
3	C	-0.058
4	O	-0.133

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

using model chemistry: PBEPBEultrafine/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>	68.649
(<r²>)^1/2	8.285

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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