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	hartrees
Energy at 0K	-189.416906
Energy at 298.15K	-189.414653
HF Energy	-189.416906
Nuclear repulsion energy	76.124881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2334	2253	1292.14
2	Σ	1953	1884	33.97
3	Σ	958	924	2.27
4	Π	606	585	24.13
4	Π	606	585	24.13
5	Π	144	139	6.00
5	Π	144	139	6.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.037
C2	0.000	0.000	-0.760
C3	0.000	0.000	0.538
O4	0.000	0.000	1.694

	C1	C2	C3	O4
C1		1.2769	2.5743	3.7308
C2	1.2769		1.2974	2.4539
C3	2.5743	1.2974		1.1565
O4	3.7308	2.4539	1.1565

Number	Element	Mulliken
1	C	-0.198
2	C	-0.150
3	C	0.535
4	O	-0.187

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

using model chemistry: TPSSh/6-31G(2df,p)

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>	67.692
(<r²>)^1/2	8.228

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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