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	hartrees
Energy at 0K	-560.502795
Energy at 298.15K	-560.503204
HF Energy	-560.502795
Nuclear repulsion energy	37.020682

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.491
S2	0.000	0.000	1.025

	Na1	S2
Na1		2.5158
S2	2.5158

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.723
2	S	-0.723

	x	y	z	Total
	0.000	0.000	-8.514	8.514
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/aug-cc-pVDZ

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>	52.566
(<r²>)^1/2	7.250