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	hartrees
Energy at 0K	-450.580276
Energy at 298.15K	-450.580001
HF Energy	-450.580276
Nuclear repulsion energy	36.873552

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.489
N2	0.000	0.000	-1.118

	S1	N2
S1		1.6073
N2	1.6073

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.344
2	N	-0.344

	x	y	z	Total
	0.000	0.000	1.127	1.127
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	24.144
(<r²>)^1/2	4.914