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	hartrees
Energy at 0K	-757.528852
Energy at 298.15K	-757.529920
HF Energy	-757.528852
Nuclear repulsion energy	121.739577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1196	1189	122.24
2	Σ	640	636	2.28
3	Π	204	203	0.92
3	Π	204	203	0.92

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.488
P2	0.000	0.000	-0.440
O3	0.000	0.000	-1.966

	P1	P2	O3
P1		1.9284	3.4544
P2	1.9284		1.5259
O3	3.4544	1.5259

Number	Element	Mulliken
1	P	0.203
2	P	0.253
3	O	-0.456

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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>	86.836
(<r²>)^1/2	9.319