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	hartrees
Energy at 0K	-452.928676
Energy at 298.15K	-452.928424
HF Energy	-452.928676
Nuclear repulsion energy	39.679564

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.455
N2	0.000	0.000	-1.039

	S1	N2
S1		1.4937
N2	1.4937

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.313
2	N	-0.313

	x	y	z	Total
	0.000	0.000	1.833	1.833
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/cc-pVQZ

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>	22.333
(<r²>)^1/2	4.726