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	hartrees
Energy at 0K	-757.948012
Energy at 298.15K	-757.949191
HF Energy	-757.948012
Nuclear repulsion energy	124.052688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1290	1240	129.40
2	Σ	687	660	2.20
3	Π	233	224	4.41
3	Π	233	224	4.41

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.462
P2	0.000	0.000	-0.434
O3	0.000	0.000	-1.928

	P1	P2	O3
P1		1.8953	3.3896
P2	1.8953		1.4943
O3	3.3896	1.4943

Number	Element	Mulliken
1	P	-0.120
2	P	0.455
3	O	-0.335

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

using model chemistry: B1B95/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>	84.049
(<r²>)^1/2	9.168