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	hartrees
Energy at 0K	-399.282622
Energy at 298.15K
HF Energy	-399.254728
Nuclear repulsion energy	30.393892

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.349
Al2	0.000	0.000	1.141

	Na1	Al2
Na1		2.4897
Al2	2.4897

All results from a given calculation for NaAl (Sodium aluminum)

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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