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	hartrees
Energy at 0K	-189.383031
Energy at 298.15K	-189.380812
HF Energy	-189.383031
Nuclear repulsion energy	76.578367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2382	2279	1575.62
2	Σ	1999	1912	49.07
3	Σ	976	934	1.64
4	Π	621	595	35.14
4	Π	621	595	35.14
5	Π	146	140	3.57
5	Π	146	140	3.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.026
C2	0.000	0.000	-0.756
C3	0.000	0.000	0.538
O4	0.000	0.000	1.684

	C1	C2	C3	O4
C1		1.2701	2.5641	3.7098
C2	1.2701		1.2940	2.4397
C3	2.5641	1.2940		1.1457
O4	3.7098	2.4397	1.1457

Number	Element	Mulliken
1	C	-0.077
2	C	-0.090
3	C	0.325
4	O	-0.158

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

using model chemistry: mPW1PW91/6-311G**

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>	67.405
(<r²>)^1/2	8.210

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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