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	hartrees
Energy at 0K	-757.919891
Energy at 298.15K	-757.921007
HF Energy	-757.919891
Nuclear repulsion energy	123.092998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1253	1215	117.01
2	Σ	660	641	1.96
3	Π	216	210	3.53
3	Π	216	210	3.53

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.474
P2	0.000	0.000	-0.438
O3	0.000	0.000	-1.942

	P1	P2	O3
P1		1.9112	3.4158
P2	1.9112		1.5046
O3	3.4158	1.5046

Number	Element	Mulliken
1	P	-0.113
2	P	0.443
3	O	-0.330

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

using model chemistry: B3LYP/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>	85.164
(<r²>)^1/2	9.228