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	hartrees
Energy at 0K	-92.692585
Energy at 298.15K
HF Energy	-92.571198
Nuclear repulsion energy	18.968832

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.631
N2	0.000	0.000	0.541

	C1	N2
C1		1.1717
N2	1.1717

All results from a given calculation for CN (Cyano radical)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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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