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	hartrees
Energy at 0K	-560.206193
Energy at 298.15K	-560.206612
HF Energy	-560.206193
Nuclear repulsion energy	37.520932

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.471
S2	0.000	0.000	1.011

	Na1	S2
Na1		2.4822
S2	2.4822

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.503
2	S	-0.503

	x	y	z	Total
	0.000	0.000	-8.144	8.144
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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>	51.272
(<r²>)^1/2	7.160