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	hartrees
Energy at 0K	-757.958792
Energy at 298.15K	-757.959938
HF Energy	-757.958792
Nuclear repulsion energy	125.136269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1319	1264	159.54
2	Σ	687	658	1.75
3	Π	220	210	1.85
3	Π	220	210	1.85

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.451
P2	0.000	0.000	-0.434
O3	0.000	0.000	-1.908

	P1	P2	O3
P1		1.8853	3.3594
P2	1.8853		1.4740
O3	3.3594	1.4740

Number	Element	Mulliken
1	P	-0.277
2	P	0.966
3	O	-0.689

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

using model chemistry: mPW1PW91/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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<r²>	83.161
(<r²>)^1/2	9.119