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	hartrees
Energy at 0K	-76.571673
Energy at 298.15K	-76.570489
HF Energy	-76.571673
Nuclear repulsion energy	19.036625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3291	3249	36.36
2	Σ	1681	1659	37.34
3	Π	1022	1009	192.96
3	Π	529	523	80.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.513
C2	0.000	0.000	0.778
H3	0.000	0.000	-1.590

	C1	C2	H3
C1		1.2919	1.0762
C2	1.2919		2.3681
H3	1.0762	2.3681

Number	Element	Mulliken
1	C	0.253
2	C	-0.492
3	H	0.239

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

using model chemistry: B97D3/6-311+G(3df,2p)

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>	15.490
(<r²>)^1/2	3.936

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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