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	hartrees
Energy at 0K	-560.529450
Energy at 298.15K	-560.529896
HF Energy	-560.529450
Nuclear repulsion energy	37.210542

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.483
S2	0.000	0.000	1.020

	Na1	S2
Na1		2.5029
S2	2.5029

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.502
2	S	-0.502

	x	y	z	Total
	0.000	0.000	-8.304	8.304
CHELPG
AIM
ESP

All results from a given calculation for NaS (Sodium sulfide)

using model chemistry: B3LYPultrafine/aug-cc-pV(T+d)Z

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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<r²>	52.263
(<r²>)^1/2	7.229