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	hartrees
Energy at 0K	-76.542839
Energy at 298.15K	-76.541654
HF Energy	-76.542839
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3305	3240	19.97
2	Σ	1685	1652	29.14
3	Π	1079	1058	158.13
3	Π	523	513	80.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.519
C2	0.000	0.000	0.785
H3	0.000	0.000	-1.600

	C1	C2	H3
C1		1.3037	1.0811
C2	1.3037		2.3848
H3	1.0811	2.3848

Number	Element	Mulliken
1	C	-0.111
2	C	-0.107
3	H	0.218

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

using model chemistry: B97D3/6-31G*

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>	15.227
(<r²>)^1/2	3.902

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

using model chemistry: B97D3/6-31G*

States and conformations

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