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	hartrees
Energy at 0K	-76.151868
Energy at 298.15K	-76.150670
HF Energy	-76.151868
Nuclear repulsion energy	20.155686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3536	3390	57.22
2	Σ	2146	2057	5.22
3	Π	678	650	22.17
3	Π	678	650	22.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.476
C2	0.000	0.000	0.732
H3	0.000	0.000	-1.539

	C1	C2	H3
C1		1.2079	1.0633
C2	1.2079		2.2712
H3	1.0633	2.2712

Number	Element	Mulliken
1	C	-0.281
2	C	-0.005
3	H	0.286

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

using model chemistry: M06-2X/3-21G

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>	13.911
(<r²>)^1/2	3.730

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

using model chemistry: M06-2X/3-21G

States and conformations

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