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	hartrees
Energy at 0K	-76.581997
Energy at 298.15K	-76.580817
HF Energy	-76.573056
Nuclear repulsion energy	19.027778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3296	3250	33.14
2	Σ	1683	1659	34.68
3	Π	1030	1016	164.45
3	Π	532	524	72.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.514
C2	0.000	0.000	0.779
H3	0.000	0.000	-1.590

	C1	C2	H3
C1		1.2928	1.0759
C2	1.2928		2.3687
H3	1.0759	2.3687

Number	Element	Mulliken
1	C	-0.077
2	C	-0.074
3	H	0.151

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

using model chemistry: B97D3/cc-pVTZ

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>	15.376
(<r²>)^1/2	3.921

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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