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	hartrees
Energy at 0K	-186.703580
Energy at 298.15K	-186.701316
HF Energy	-186.703580
Nuclear repulsion energy	74.357678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2418	2133	795.94
2	Σ	1995	1760	188.86
3	Σ	986	870	0.13
4	Π	592	522	19.14
4	Π	592	522	19.14
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		1.2965	2.6055	3.8126
C2	1.2965		1.3090	2.5162
C3	2.6055	1.3090		1.2071
O4	3.8126	2.5162	1.2071

Number	Element	Mulliken
1	C	0.026
2	C	-0.183
3	C	0.230
4	O	-0.073

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

using model chemistry: PBE1PBE/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>	68.522
(<r²>)^1/2	8.278

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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