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	hartrees
Energy at 0K	-757.935055
Energy at 298.15K	-757.936145
HF Energy	-757.935055
Nuclear repulsion energy	122.843710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1233	1196	152.69
2	Σ	654	635	2.34
3	Π	207	201	1.52
3	Π	207	201	1.52

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.476
P2	0.000	0.000	-0.438
O3	0.000	0.000	-1.947

	P1	P2	O3
P1		1.9142	3.4229
P2	1.9142		1.5087
O3	3.4229	1.5087

Number	Element	Mulliken
1	P	0.211
2	P	0.281
3	O	-0.492

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

using model chemistry: B3LYP/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>	85.809
(<r²>)^1/2	9.263