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	hartrees
Energy at 0K	-76.534286
Energy at 298.15K	-76.532852
HF Energy	-76.534286
Nuclear repulsion energy	20.226194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3477	3340	57.28
2	Σ	2101	2017	4.92
3	Π	486	467	2.11
3	Π	486	467	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.473
C2	0.000	0.000	0.729
H3	0.000	0.000	-1.538

	C1	C2	H3
C1		1.2022	1.0654
C2	1.2022		2.2677
H3	1.0654	2.2677

Number	Element	Mulliken
1	C	-0.129
2	C	-0.017
3	H	0.146

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

using model chemistry: HSEh1PBE/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>	13.845
(<r²>)^1/2	3.721

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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