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	hartrees
Energy at 0K	-76.629295
Energy at 298.15K	-76.626909
HF Energy	-76.629295
Nuclear repulsion energy	20.164421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3452	3325	43.74
2	Σ	2068	1992	5.15
3	Π	104	100	1.70
3	Π	104	100	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.475
C2	0.000	0.000	0.732
H3	0.000	0.000	-1.541

	C1	C2	H3
C1		1.2065	1.0664
C2	1.2065		2.2729
H3	1.0664	2.2729

Number	Element	Mulliken
1	C	-0.232
2	C	-0.014
3	H	0.246

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

using model chemistry: TPSSh/6-311G*

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>	13.874
(<r²>)^1/2	3.725

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

using model chemistry: TPSSh/6-311G*

States and conformations

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