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	hartrees
Energy at 0K	-422.966372
Energy at 298.15K	-422.965188
HF Energy	-422.966372
Nuclear repulsion energy	26.236278

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.229
S2	0.000	0.000	0.384

	B1	S2
B1		1.6128
S2	1.6128

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.091
2	S	-0.091

	x	y	z	Total
	0.000	0.000	-1.069	1.069
CHELPG
AIM
ESP

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

using model chemistry: wB97X-D/TZVP

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>	21.336
(<r²>)^1/2	4.619