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	hartrees
Energy at 0K	-76.485627
Energy at 298.15K
HF Energy	-76.428495
Nuclear repulsion energy	19.993536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3517	3517	48.43
2	Σ	2124	2124	6.29
3	Π	516	516	3.26
3	Π	516	516	3.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.481
C2	0.000	0.000	0.739
H3	0.000	0.000	-1.546

	C1	C2	H3
C1		1.2195	1.0647
C2	1.2195		2.2842
H3	1.0647	2.2842

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C2H (Ethynyl radical)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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