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	hartrees
Energy at 0K	-757.655385
Energy at 298.15K	-757.656531
HF Energy	-757.655385
Nuclear repulsion energy	125.034091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1316	1265	157.67
2	Σ	685	659	1.73
3	Π	220	212	1.81
3	Π	220	212	1.81

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.453
P2	0.000	0.000	-0.434
O3	0.000	0.000	-1.910

	P1	P2	O3
P1		1.8867	3.3621
P2	1.8867		1.4754
O3	3.3621	1.4754

Number	Element	Mulliken
1	P	-0.274
2	P	0.931
3	O	-0.657

All results from a given calculation for PPO (Phosphorus oxide phosphide)

using model chemistry: HSEh1PBE/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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<r²>	83.304
(<r²>)^1/2	9.127