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	hartrees
Energy at 0K	-756.884336
Energy at 298.15K	-756.885465
HF Energy	-756.348921
Nuclear repulsion energy	125.012539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1343	1286	172.89
2	Σ	685	655	2.93
3	Π	213	204	2.16
3	Π	213	204	2.16

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.455
P2	0.000	0.000	-0.437
O3	0.000	0.000	-1.907

	P1	P2	O3
P1		1.8920	3.3621
P2	1.8920		1.4701
O3	3.3621	1.4701

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

using model chemistry: CCD/aug-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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