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	hartrees
Energy at 0K	-749.030955
Energy at 298.15K	-749.031578
HF Energy	-749.030955
Nuclear repulsion energy	122.772650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1197	1197	46.78
2	Σ	756	756	4.65
3	Π	77	77	1.92
3	Π	77	77	1.92

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.459
P2	0.000	0.000	-0.405
O3	0.000	0.000	-1.976

	P1	P2	O3
P1		1.8638	3.4354
P2	1.8638		1.5716
O3	3.4354	1.5716

Number	Element	Mulliken
1	P	0.019
2	P	0.313
3	O	-0.332

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

using model chemistry: M06-2X/STO-3G

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>	82.679
(<r²>)^1/2	9.093