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	hartrees
Energy at 0K	-76.047283
Energy at 298.15K
HF Energy	-76.047283
Nuclear repulsion energy	19.403381

Number	Element	Mulliken
1	C	-0.295
2	C	0.010
3	H	0.285

	x	y	z	Total
	-0.344	0.835	0.000	0.903
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	18.950
(<r²>)^1/2	4.353

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

using model chemistry: HSEh1PBE/3-21G

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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