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	hartrees
Energy at 0K	-76.525964
Energy at 298.15K	-76.524182
HF Energy	-76.449011
Nuclear repulsion energy	20.109760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3515	3515	52.89
2	Σ	2139	2139	6.38
3	Π	311	311	1.25
3	Π	311	311	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.477
C2	0.000	0.000	0.734
H3	0.000	0.000	-1.541

	C1	C2	H3
C1		1.2110	1.0642
C2	1.2110		2.2752
H3	1.0642	2.2752

Number	Element	Mulliken
1	C	-0.058
2	C	-0.115
3	H	0.173

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

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

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>	13.749
(<r²>)^1/2	3.708

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

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

States and conformations

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