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	hartrees
Energy at 0K	-186.892359
Energy at 298.15K	-186.890147
HF Energy	-186.892359
Nuclear repulsion energy	74.748792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2454	2454	978.51
2	Σ	2048	2048	225.04
3	Σ	1001	1001	0.05
4	Π	614	614	25.06
4	Π	614	614	25.06
5	Π	201	201	3.18
5	Π	201	201	3.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.063
C2	0.000	0.000	-0.776
C3	0.000	0.000	0.533
O4	0.000	0.000	1.730

	C1	C2	C3	O4
C1		1.2876	2.5960	3.7930
C2	1.2876		1.3084	2.5054
C3	2.5960	1.3084		1.1970
O4	3.7930	2.5054	1.1970

Number	Element	Mulliken
1	C	0.030
2	C	-0.202
3	C	0.259
4	O	-0.088

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

using model chemistry: M06-2X/STO-3G

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>	68.037
(<r²>)^1/2	8.248

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

using model chemistry: M06-2X/STO-3G

States and conformations

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