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	hartrees
Energy at 0K	-76.365868
Energy at 298.15K	-76.364742
HF Energy	-76.157867
Nuclear repulsion energy	20.363512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3557	3447	61.14
2	Σ	2452	2376	8.76
3	Π	757	734	13.90
3	Π	757	734	13.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.467
C2	0.000	0.000	0.724
H3	0.000	0.000	-1.540

	C1	C2	H3
C1		1.1905	1.0731
C2	1.1905		2.2636
H3	1.0731	2.2636

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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