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	hartrees
Energy at 0K	-186.863887
Energy at 298.15K	-186.861621
HF Energy	-186.863887
Nuclear repulsion energy	74.341821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2411	2119	801.47
2	Σ	1991	1750	185.35
3	Σ	984	864	0.14
4	Π	590	518	19.32
4	Π	590	518	19.32
5	Π	194	171	3.20
5	Π	194	171	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.074
C2	0.000	0.000	-0.777
C3	0.000	0.000	0.532
O4	0.000	0.000	1.739

	C1	C2	C3	O4
C1		1.2966	2.6058	3.8134
C2	1.2966		1.3092	2.5168
C3	2.6058	1.3092		1.2076
O4	3.8134	2.5168	1.2076

Number	Element	Mulliken
1	C	0.028
2	C	-0.184
3	C	0.232
4	O	-0.076

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

using model chemistry: mPW1PW91/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>	68.547
(<r²>)^1/2	8.279

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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