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	hartrees
Energy at 0K	-757.576083
Energy at 298.15K	-757.577259
HF Energy	-757.576083
Nuclear repulsion energy	125.461693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1338	1282	122.09
2	Σ	690	661	1.01
3	Π	231	221	2.88
3	Π	231	221	2.88

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.448
P2	0.000	0.000	-0.434
O3	0.000	0.000	-1.902

	P1	P2	O3
P1		1.8821	3.3504
P2	1.8821		1.4684
O3	3.3504	1.4684

Number	Element	Mulliken
1	P	-0.231
2	P	0.445
3	O	-0.213

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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>	82.580
(<r²>)^1/2	9.087