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	hartrees
Energy at 0K	-76.151446
Energy at 298.15K	-76.150296
HF Energy	-76.151446
Nuclear repulsion energy	20.543151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3631	3107	41.36
2	Σ	2281	1952	5.82
3	Π	732	627	16.22
3	Π	732	627	16.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.464
C2	0.000	0.000	0.718
H3	0.000	0.000	-1.520

	C1	C2	H3
C1		1.1820	1.0560
C2	1.1820		2.2380
H3	1.0560	2.2380

Number	Element	Mulliken
1	C	-0.278
2	C	-0.005
3	H	0.283

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

using model chemistry: ROHF/6-311G*

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>	13.720
(<r²>)^1/2	3.704

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

using model chemistry: ROHF/6-311G*

States and conformations

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