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	hartrees
Energy at 0K	-28.878467
Energy at 298.15K	-28.879075
HF Energy	-28.878467
Nuclear repulsion energy	20.828190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1004	978	85.64
2	Σ	555	541	1.61
3	Π	86	84	1.52
3	Π	86	84	1.52

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.562
P2	0.000	0.000	-0.462
O3	0.000	0.000	-2.063

	P1	P2	O3
P1		2.0235	3.6253
P2	2.0235		1.6017
O3	3.6253	1.6017

Number	Element	Mulliken
1	P	0.061
2	P	0.379
3	O	-0.440

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

using model chemistry: B3LYP/CEP-121G

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>	58.616
(<r²>)^1/2	7.656