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	hartrees
Energy at 0K	-91.399619
Energy at 298.15K
HF Energy	-91.336175
Nuclear repulsion energy	18.287985

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.654
N2	0.000	0.000	0.561

	C1	N2
C1		1.2153
N2	1.2153

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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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