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	hartrees
Energy at 0K	-76.556941
Energy at 298.15K	-76.555388
HF Energy	-76.477361
Nuclear repulsion energy	20.215973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3491	3332	59.36
2	Σ	2119	2023	5.51
3	Π	418	399	0.11
3	Π	418	399	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.474
C2	0.000	0.000	0.730
H3	0.000	0.000	-1.536

	C1	C2	H3
C1		1.2037	1.0626
C2	1.2037		2.2663
H3	1.0626	2.2663

Number	Element	Mulliken
1	C	-0.181
2	C	-0.002
3	H	0.183

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

using model chemistry: B2PLYP/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>	13.991
(<r²>)^1/2	3.741

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

using model chemistry: B2PLYP/TZVP

States and conformations

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