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	hartrees
Energy at 0K	-739.334421
Energy at 298.15K	-739.334460
HF Energy	-739.208236
Nuclear repulsion energy	66.412248

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.925
P2	0.000	0.000	-0.987

	S1	P2
S1		1.9123
P2	1.9123

All results from a given calculation for PS (phosphorus sulfide)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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