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	hartrees
Energy at 0K	-189.381902
Energy at 298.15K	-189.379710
HF Energy	-189.381902
Nuclear repulsion energy	76.746144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2385	2256	1966.09
2	Σ	2042	1932	76.20
3	Σ	985	932	0.23
4	Π	619	586	44.43
4	Π	619	586	44.43
5	Π	155	146	2.33
5	Π	155	146	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.022
C2	0.000	0.000	-0.758
C3	0.000	0.000	0.540
O4	0.000	0.000	1.680

	C1	C2	C3	O4
C1		1.2638	2.5617	3.7019
C2	1.2638		1.2979	2.4381
C3	2.5617	1.2979		1.1402
O4	3.7019	2.4381	1.1402

Number	Element	Mulliken
1	C	-0.133
2	C	-0.108
3	C	0.452
4	O	-0.211

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

using model chemistry: M06-2X/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>	67.483
(<r²>)^1/2	8.215

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

using model chemistry: M06-2X/TZVP

States and conformations

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