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	hartrees
Energy at 0K	-423.002470
Energy at 298.15K	-423.001282
HF Energy	-423.002470
Nuclear repulsion energy	26.188773

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.232
S2	0.000	0.000	0.385

	B1	S2
B1		1.6165
S2	1.6165

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.069
2	S	-0.069

	x	y	z	Total
	0.000	0.000	-0.955	0.955
CHELPG
AIM
ESP	0.000	0.000	-1.117	1.117

All results from a given calculation for BS (boron sulfide)

using model chemistry: B3LYP/6-311G*

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>	21.587
(<r²>)^1/2	4.646