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	hartrees
Energy at 0K	-738.581419
Energy at 298.15K
HF Energy	-738.279382
Nuclear repulsion energy	69.240797

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.888
P2	0.000	0.000	-0.947

	S1	P2
S1		1.8342
P2	1.8342

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

using model chemistry: CCD/6-311+G(3df,2p)

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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