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	hartrees
Energy at 0K	-76.501488
Energy at 298.15K
HF Energy	-76.501488
Nuclear repulsion energy	19.945826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3407	3360	53.67
2	Σ	2042	2014	6.02
3	Π	537i	530i	39.68
3	Π	537i	530i	39.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.481
C2	0.000	0.000	0.740
H3	0.000	0.000	-1.555

	C1	C2	H3
C1		1.2205	1.0747
C2	1.2205		2.2953
H3	1.0747	2.2953

Number	Element	Mulliken
1	C	-0.036
2	C	-0.129
3	H	0.165

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

using model chemistry: PBEPBEultrafine/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>	13.838
(<r²>)^1/2	3.720

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

using model chemistry: PBEPBEultrafine/6-31G**

States and conformations

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