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	hartrees
Energy at 0K	-76.489306
Energy at 298.15K	-76.487951
HF Energy	-76.489306
Nuclear repulsion energy	20.035092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3522	3367	52.88
2	Σ	2092	2000	5.07
3	Π	543	519	7.75
3	Π	543	519	7.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.479
C2	0.000	0.000	0.737
H3	0.000	0.000	-1.545

	C1	C2	H3
C1		1.2162	1.0655
C2	1.2162		2.2817
H3	1.0655	2.2817

Number	Element	Mulliken
1	C	-0.158
2	C	-0.092
3	H	0.250

All results from a given calculation for C₂H (Ethynyl radical)

using model chemistry: PBE1PBE/6-31G

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>	13.855
(<r²>)^1/2	3.722

All results from a given calculation for C2H (Ethynyl radical)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for C₂H (Ethynyl radical)