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	hartrees
Energy at 0K	-450.336075
Energy at 298.15K	-450.335796
HF Energy	-450.336075
Nuclear repulsion energy	36.511648

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.494
N2	0.000	0.000	-1.129

	S1	N2
S1		1.6233
N2	1.6233

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.343
2	N	-0.343

	x	y	z	Total
	0.000	0.000	1.125	1.125
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/3-21G

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>	24.376
(<r²>)^1/2	4.937