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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C*V	²Σ
1	2	yes	CS	²A^'

	hartrees
Energy at 0K	-76.150087
Energy at 298.15K
HF Energy	-76.084222
Nuclear repulsion energy	19.527070

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.479
C2	0.000	0.000	0.735
H3	0.000	0.000	-1.537

	C1	C2	H3
C1		1.2147	1.0579
C2	1.2147		2.2727
H3	1.0579	2.2727

	hartrees
Energy at 0K	-76.084222
Energy at 298.15K
HF Energy	-76.084222
Nuclear repulsion energy	19.527070

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

using model chemistry: HF/6-31G*

States and conformations

Conformer 1 (C*V)

Conformer 2 (CS)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.219
2	C	-0.011
3	H	0.230

	x	y	z	Total
	0.888	0.920	0.000	1.278
CHELPG
AIM
ESP

<r²>	18.377
(<r²>)^1/2	4.287

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

using model chemistry: HF/6-31G*

States and conformations

Conformer 1 (C*V)

Conformer 2 (CS)

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