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	hartrees
Energy at 0K	-76.636846
Energy at 298.15K	-76.635146
HF Energy	-76.636846
Nuclear repulsion energy	20.243614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3461	3334	59.81
2	Σ	2101	2024	5.10
3	Π	345	332	4.35
3	Π	345	332	4.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.473
C2	0.000	0.000	0.729
H3	0.000	0.000	-1.537

	C1	C2	H3
C1		1.2012	1.0643
C2	1.2012		2.2655
H3	1.0643	2.2655

Number	Element	Mulliken
1	C	-0.176
2	C	-0.011
3	H	0.187

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

using model chemistry: B3LYPultrafine/TZVP

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>	13.974
(<r²>)^1/2	3.738

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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