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	hartrees
Energy at 0K	-188.263484
Energy at 298.15K	-188.261549
HF Energy	-188.263484
Nuclear repulsion energy	75.740510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2349	2258	1157.19
2	Σ	1935	1860	10.65
3	Σ	964	927	2.66
4	Π	749	720	36.69
4	Π	749	720	36.69
5	Π	201	193	2.91
5	Π	201	193	2.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.042
C2	0.000	0.000	-0.760
C3	0.000	0.000	0.529
O4	0.000	0.000	1.705

	C1	C2	C3	O4
C1		1.2819	2.5709	3.7466
C2	1.2819		1.2890	2.4647
C3	2.5709	1.2890		1.1757
O4	3.7466	2.4647	1.1757

Number	Element	Mulliken
1	C	0.070
2	C	-0.014
3	C	0.332
4	O	-0.388

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

using model chemistry: B3PW91/3-21G

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>	68.304
(<r²>)^1/2	8.265

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

using model chemistry: B3PW91/3-21G

States and conformations

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