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	hartrees
Energy at 0K	-452.880849
Energy at 298.15K	-452.880594
HF Energy	-452.880849
Nuclear repulsion energy	38.941007

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.463
N2	0.000	0.000	-1.059

	S1	N2
S1		1.5220
N2	1.5220

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.206
2	N	-0.206

	x	y	z	Total
	0.000	0.000	1.662	1.662
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	22.520
(<r²>)^1/2	4.746