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	hartrees
Energy at 0K	-189.257004
Energy at 298.15K	-189.254734
HF Energy	-189.257004
Nuclear repulsion energy	75.842138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2275	2247	1223.53
2	Σ	1902	1879	34.27
3	Σ	935	923	3.30
4	Π	579	572	19.01
4	Π	579	572	19.01
5	Π	150	148	7.13
5	Π	150	148	7.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.044
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		1.2806	2.5826	3.7447
C2	1.2806		1.3020	2.4641
C3	2.5826	1.3020		1.1621
O4	3.7447	2.4641	1.1621

Number	Element	Mulliken
1	C	-0.253
2	C	0.084
3	C	0.205
4	O	-0.036

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

using model chemistry: PBEPBE/Def2TZVPP

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>	68.601
(<r²>)^1/2	8.283

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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