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	hartrees
Energy at 0K	-416.466425
Energy at 298.15K
HF Energy	-416.307226
Nuclear repulsion energy	42.752282

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.969
P2	0.000	0.000	0.517

	O1	P2
O1		1.4853
P2	1.4853

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pV(T+d)Z

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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