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	hartrees
Energy at 0K	-757.924710
Energy at 298.15K	-757.925814
HF Energy	-757.924710
Nuclear repulsion energy	124.472917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1262	1246	128.56
2	Σ	657	648	1.49
3	Π	212	209	1.26
3	Π	212	209	1.26

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.459
P2	0.000	0.000	-0.436
O3	0.000	0.000	-1.918

	P1	P2	O3
P1		1.8957	3.3772
P2	1.8957		1.4815
O3	3.3772	1.4815

Number	Element	Mulliken
1	P	-0.050
2	P	0.336
3	O	-0.286

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

using model chemistry: B97D3/6-311+G(3df,2p)

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>	83.806
(<r²>)^1/2	9.155