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	hartrees
Energy at 0K	-76.643103
Energy at 298.15K	-76.641336
HF Energy	-76.643103
Nuclear repulsion energy	20.288016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3448	3341	56.64
2	Σ	2093	2027	4.71
3	Π	316	306	4.67
3	Π	316	306	4.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.471
C2	0.000	0.000	0.727
H3	0.000	0.000	-1.534

	C1	C2	H3
C1		1.1984	1.0628
C2	1.1984		2.2612
H3	1.0628	2.2612

Number	Element	Mulliken
1	C	-0.167
2	C	0.019
3	H	0.148

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

using model chemistry: B3LYP/cc-pVQZ

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>	13.924
(<r²>)^1/2	3.732

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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