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	hartrees
Energy at 0K	-75.537382
Energy at 298.15K	-75.535677
HF Energy	-75.537382
Nuclear repulsion energy	19.884875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3586	3276	117.23
2	Σ	2171	1984	3.68
3	Π	382	349	0.44
3	Π	382	349	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.480
C2	0.000	0.000	0.742
H3	0.000	0.000	-1.568

	C1	C2	H3
C1		1.2218	1.0882
C2	1.2218		2.3099
H3	1.0882	2.3099

Number	Element	Mulliken
1	C	-0.143
2	C	0.013
3	H	0.130

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

using model chemistry: PBEPBE/STO-3G

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>	13.257
(<r²>)^1/2	3.641

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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