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	hartrees
Energy at 0K	-757.986329
Energy at 298.15K	-757.987428
HF Energy	-757.986329
Nuclear repulsion energy	124.517119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1294	1251	137.43
2	Σ	665	643	1.48
3	Π	208	201	2.72
3	Π	208	201	2.72

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.459
P2	0.000	0.000	-0.437
O3	0.000	0.000	-1.917

	P1	P2	O3
P1		1.8958	3.3759
P2	1.8958		1.4801
O3	3.3759	1.4801

Number	Element	Mulliken
1	P	-0.133
2	P	0.510
3	O	-0.378

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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>	83.850
(<r²>)^1/2	9.157