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	hartrees
Energy at 0K	-452.891576
Energy at 298.15K	-452.891321
HF Energy	-452.891576
Nuclear repulsion energy	39.031225

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.461
N2	0.000	0.000	-1.053

	S1	N2
S1		1.5140
N2	1.5140

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.433
2	N	-0.433

	x	y	z	Total
	0.000	0.000	1.723	1.723
CHELPG	0.000	0.000	0.000	0.000
AIM
ESP

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

using model chemistry: B3LYP/aug-cc-pVDZ

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>	22.843
(<r²>)^1/2	4.779