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	hartrees
Energy at 0K	-76.176742
Energy at 298.15K	-76.175464
HF Energy	-76.176742
Nuclear repulsion energy	20.201074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3581	3581	55.58
2	Σ	1876	1876	1.22
3	Π	601	601	37.43
3	Π	601	601	37.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.475
C2	0.000	0.000	0.731
H3	0.000	0.000	-1.532

	C1	C2	H3
C1		1.2063	1.0564
C2	1.2063		2.2627
H3	1.0564	2.2627

Number	Element	Mulliken
1	C	-0.162
2	C	-0.037
3	H	0.199

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

using model chemistry: ROHF/TZVP

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>	14.011
(<r²>)^1/2	3.743

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

using model chemistry: ROHF/TZVP

States and conformations

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