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	hartrees
Energy at 0K	-403.781067
Energy at 298.15K	-403.781343
HF Energy	-403.693536
Nuclear repulsion energy	24.158181

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.697
Al2	0.000	0.000	1.436

	Na1	Al2
Na1		3.1325
Al2	3.1325

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

using model chemistry: QCISD(TQ)=FULL/6-31G*

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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