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	hartrees
Energy at 0K	-757.790135
Energy at 298.15K	-757.791283
HF Energy	-757.790135
Nuclear repulsion energy	123.473814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1271	1226	122.39
2	Σ	676	652	2.10
3	Π	224	216	3.75
3	Π	224	216	3.75

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.469
P2	0.000	0.000	-0.435
O3	0.000	0.000	-1.937

	P1	P2	O3
P1		1.9040	3.4055
P2	1.9040		1.5015
O3	3.4055	1.5015

Number	Element	Mulliken
1	P	-0.120
2	P	0.451
3	O	-0.331

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

using model chemistry: B3PW91/cc-pVDZ

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>	84.703
(<r²>)^1/2	9.203