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	hartrees
Energy at 0K	-76.159265
Energy at 298.15K	-76.157875
HF Energy	-76.159265
Nuclear repulsion energy	19.998635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3578	3258	54.93
2	Σ	1854	1688	1.15
3	Π	515	469	35.13
3	Π	515	469	35.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.481
C2	0.000	0.000	0.738
H3	0.000	0.000	-1.545

	C1	C2	H3
C1		1.2193	1.0642
C2	1.2193		2.2834
H3	1.0642	2.2834

Number	Element	Mulliken
1	C	0.607
2	C	-0.506
3	H	-0.101

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

using model chemistry: HF/aug-cc-pVDZ

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>	14.198
(<r²>)^1/2	3.768

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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