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	hartrees
Energy at 0K	-452.929739
Energy at 298.15K	-452.929487
HF Energy	-452.929739
Nuclear repulsion energy	39.699105

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.457
N2	0.000	0.000	-1.045

	S1	N2
S1		1.5025
N2	1.5025

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.706
2	N	-0.706

	x	y	z	Total
	0.000	0.000	1.817	1.817
CHELPG
AIM
ESP

All results from a given calculation for NS (Mononitrogen monosulfide)

using model chemistry: B3LYP/aug-cc-pVQZ

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>	22.411
(<r²>)^1/2	4.734