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	hartrees
Energy at 0K	-757.911506
Energy at 298.15K	-757.912622
HF Energy	-757.911506
Nuclear repulsion energy	125.351606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1319	1259	159.52
2	Σ	689	658	0.71
3	Π	211	201	5.07
3	Π	211	201	5.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.448
P2	0.000	0.000	-0.431
O3	0.000	0.000	-1.906

	P1	P2	O3
P1		1.8793	3.3539
P2	1.8793		1.4746
O3	3.3539	1.4746

Number	Element	Mulliken
1	P	-0.117
2	P	0.600
3	O	-0.483

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

using model chemistry: mPW1PW91/6-311G*

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>	83.510
(<r²>)^1/2	9.138