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	hartrees
Energy at 0K	-189.399762
Energy at 298.15K	-189.397543
HF Energy	-189.399762
Nuclear repulsion energy	76.683927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2380	2271	1655.13
2	Σ	2007	1914	52.24
3	Σ	980	935	1.49
4	Π	610	582	37.38
4	Π	610	582	37.38
5	Π	150	143	3.46
5	Π	150	143	3.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.023
C2	0.000	0.000	-0.756
C3	0.000	0.000	0.537
O4	0.000	0.000	1.682

	C1	C2	C3	O4
C1		1.2666	2.5592	3.7042
C2	1.2666		1.2926	2.4376
C3	2.5592	1.2926		1.1450
O4	3.7042	2.4376	1.1450

Number	Element	Mulliken
1	C	-0.218
2	C	0.007
3	C	0.374
4	O	-0.163

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

using model chemistry: mPW1PW91/TZVP

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>	67.433
(<r²>)^1/2	8.212

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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