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	hartrees
Energy at 0K	-189.354869
Energy at 298.15K	-189.352836
HF Energy	-189.354869
Nuclear repulsion energy	74.867583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2293	2204	1517.38
2	Σ	1883	1810	9.18
3	Σ	932	896	7.04
4	Π	612	589	33.40
4	Π	612	589	33.40
5	Π	218	209	4.08
5	Π	218	209	4.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.068
C2	0.000	0.000	-0.768
C3	0.000	0.000	0.538
O4	0.000	0.000	1.724

	C1	C2	C3	O4
C1		1.3004	2.6060	3.7917
C2	1.3004		1.3056	2.4914
C3	2.6060	1.3056		1.1857
O4	3.7917	2.4914	1.1857

Number	Element	Mulliken
1	C	0.091
2	C	-0.372
3	C	0.362
4	O	-0.081

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

using model chemistry: B3LYP/SDD

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>	70.058
(<r²>)^1/2	8.370

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

using model chemistry: B3LYP/SDD

States and conformations

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