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	hartrees
Energy at 0K	-452.655076
Energy at 298.15K	-452.654817
HF Energy	-452.655076
Nuclear repulsion energy	38.901694

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.466
N2	0.000	0.000	-1.065

	S1	N2
S1		1.5311
N2	1.5311

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.283
2	N	-0.283

	x	y	z	Total
	0.000	0.000	1.753	1.753
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/6-311G*

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>	22.807
(<r²>)^1/2	4.776