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	hartrees
Energy at 0K	-757.505821
Energy at 298.15K	-757.506851
HF Energy	-757.505821
Nuclear repulsion energy	124.668875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1312	1247	131.03
2	Σ	685	651	0.84
3	Π	185	176	3.72
3	Π	185	176	3.72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.456
P2	0.000	0.000	-0.433
O3	0.000	0.000	-1.917

	P1	P2	O3
P1		1.8892	3.3724
P2	1.8892		1.4832
O3	3.3724	1.4832

Number	Element	Mulliken
1	P	-0.085
2	P	0.531
3	O	-0.446

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

using model chemistry: PBE1PBE/6-31G*

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>	83.772
(<r²>)^1/2	9.153