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	hartrees
Energy at 0K	-76.537422
Energy at 298.15K
HF Energy	-76.457743
Nuclear repulsion energy	19.989445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3478	3345	60.41
2	Σ	2105	2024	5.57
3	Π	192i	184i	8.63
3	Π	192i	184i	8.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.480
C2	0.000	0.000	0.738
H3	0.000	0.000	-1.552

	C1	C2	H3
C1		1.2179	1.0725
C2	1.2179		2.2903
H3	1.0725	2.2903

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

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