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	hartrees
Energy at 0K	-422.775605
Energy at 298.15K	-422.774419
HF Energy	-422.775605
Nuclear repulsion energy	26.185941

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

	B1	S2
B1		1.6167
S2	1.6167

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

using model chemistry: PBE1PBE/6-31G*

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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