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	hartrees
Energy at 0K	-76.178098
Energy at 298.15K	-76.176833
HF Energy	-76.178098
Nuclear repulsion energy	20.234103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3579	3579	52.64
2	Σ	1881	1881	1.24
3	Π	611	611	34.52
3	Π	611	611	34.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.475
C2	0.000	0.000	0.730
H3	0.000	0.000	-1.529

	C1	C2	H3
C1		1.2043	1.0548
C2	1.2043		2.2591
H3	1.0548	2.2591

Number	Element	Mulliken
1	C	-0.461
2	C	-0.126
3	H	0.586

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

using model chemistry: ROHF/aug-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>	13.990
(<r²>)^1/2	3.740

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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