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	hartrees
Energy at 0K	-76.606843
Energy at 298.15K
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.471
C2	0.000	0.000	0.727
H3	0.000	0.000	-1.535

	C1	C2	H3
C1		1.1972	1.0641
C2	1.1972		2.2613
H3	1.0641	2.2613

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

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