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	hartrees
Energy at 0K	-38.462670
Energy at 298.15K
HF Energy	-38.424411
Nuclear repulsion energy	2.848945

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.159
H2	0.000	0.000	-0.955

	C1	H2
C1		1.1145
H2	1.1145

All results from a given calculation for CH (Methylidyne)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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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