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	hartrees
Energy at 0K	-452.675019
Energy at 298.15K	-452.674764
HF Energy	-452.675019
Nuclear repulsion energy	39.384502

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.457
N2	0.000	0.000	-1.044

	S1	N2
S1		1.5006
N2	1.5006

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.211
2	N	-0.211

	x	y	z	Total
	0.000	0.000	1.756	1.756
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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>	22.594
(<r²>)^1/2	4.753