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	hartrees
Energy at 0K	-76.532257
Energy at 298.15K	-76.530478
HF Energy	-76.454788
Nuclear repulsion energy	20.075253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3505	3338	57.97
2	Σ	2117	2017	5.88
3	Π	312	297	2.78
3	Π	312	297	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.478
C2	0.000	0.000	0.735
H3	0.000	0.000	-1.543

	C1	C2	H3
C1		1.2133	1.0653
C2	1.2133		2.2786
H3	1.0653	2.2786

Number	Element	Mulliken
1	C	-0.035
2	C	-0.178
3	H	0.213

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

using model chemistry: B2PLYP/6-31+G**

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>	14.139
(<r²>)^1/2	3.760

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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