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	hartrees
Energy at 0K	-76.128880
Energy at 298.15K	-76.127457
HF Energy	-76.128880
Nuclear repulsion energy	19.813787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3616	3237	45.79
2	Σ	1765	1581	1.32
3	Π	499	447	47.22
3	Π	499	447	47.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.489
C2	0.000	0.000	0.746
H3	0.000	0.000	-1.544

	C1	C2	H3
C1		1.2355	1.0554
C2	1.2355		2.2909
H3	1.0554	2.2909

Number	Element	Mulliken
1	C	-0.228
2	C	-0.062
3	H	0.290

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

using model chemistry: ROHF/6-31G

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>	14.170
(<r²>)^1/2	3.764

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

using model chemistry: ROHF/6-31G

States and conformations

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