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	hartrees
Energy at 0K	-189.345142
Energy at 298.15K	-189.342837
HF Energy	-189.345142
Nuclear repulsion energy	76.042284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2279	2249	1317.44
2	Σ	1905	1880	38.88
3	Σ	937	925	3.53
4	Π	581	573	18.04
4	Π	581	573	18.04
5	Π	137	135	7.39
5	Π	137	135	7.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.039
C2	0.000	0.000	-0.760
C3	0.000	0.000	0.538
O4	0.000	0.000	1.696

	C1	C2	C3	O4
C1		1.2788	2.5777	3.7351
C2	1.2788		1.2989	2.4563
C3	2.5777	1.2989		1.1574
O4	3.7351	2.4563	1.1574

Number	Element	Mulliken
1	C	-0.663
2	C	1.481
3	C	-0.237
4	O	-0.581

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

using model chemistry: B97D3/6-311+G(3df,2p)

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>	68.343
(<r²>)^1/2	8.267

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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