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	hartrees
Energy at 0K	-76.176003
Energy at 298.15K	-76.174738
HF Energy	-76.176003
Nuclear repulsion energy	20.240434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3570	3244	53.32
2	Σ	1884	1712	1.29
3	Π	612	556	35.07
3	Π	612	556	35.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.474
C2	0.000	0.000	0.729
H3	0.000	0.000	-1.530

	C1	C2	H3
C1		1.2036	1.0558
C2	1.2036		2.2594
H3	1.0558	2.2594

Number	Element	Mulliken
1	C	-0.095
2	C	-0.154
3	H	0.249

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

using model chemistry: HF/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>	13.994
(<r²>)^1/2	3.741

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

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

States and conformations

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