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	hartrees
Energy at 0K	-76.457216
Energy at 298.15K	-76.455764
HF Energy	-76.178025
Nuclear repulsion energy	20.150853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3475	3344	54.07
2	Σ	2068	1990	4.01
3	Π	475	457	5.31
3	Π	475	457	5.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.476
C2	0.000	0.000	0.732
H3	0.000	0.000	-1.538

	C1	C2	H3
C1		1.2085	1.0624
C2	1.2085		2.2709
H3	1.0624	2.2709

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

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

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