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	hartrees
Energy at 0K	-416.541414
Energy at 298.15K
HF Energy	-416.308411
Nuclear repulsion energy	42.709122

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.970
P2	0.000	0.000	0.517

	O1	P2
O1		1.4868
P2	1.4868

All results from a given calculation for PO (Phosphorus monoxide)

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

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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