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	hartrees
Energy at 0K	-451.942585
Energy at 298.15K
HF Energy	-451.942585
Nuclear repulsion energy	40.575307

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.445
N2	0.000	0.000	-1.016

	S1	N2
S1		1.4607
N2	1.4607

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.519
2	N	-0.519

	x	y	z	Total
	0.000	0.000	1.721	1.721
CHELPG
AIM
ESP

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

using model chemistry: ROHF/aug-cc-pCVTZ

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>	21.947
(<r²>)^1/2	4.685