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	hartrees
Energy at 0K	-757.745796
Energy at 298.15K	-757.746804
HF Energy	-757.745796
Nuclear repulsion energy	124.305898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1295	1239	125.02
2	Σ	674	645	0.84
3	Π	180	172	3.35
3	Π	180	172	3.35

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.460
P2	0.000	0.000	-0.435
O3	0.000	0.000	-1.922

	P1	P2	O3
P1		1.8948	3.3822
P2	1.8948		1.4874
O3	3.3822	1.4874

Number	Element	Mulliken
1	P	-0.084
2	P	0.526
3	O	-0.442

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

using model chemistry: B3PW91/6-31G*

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>	84.094
(<r²>)^1/2	9.170