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	hartrees
Energy at 0K	-756.767033
Energy at 298.15K	-756.768128
HF Energy	-756.290183
Nuclear repulsion energy	122.724795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1244	1244	154.60
2	Σ	662	662	4.36
3	Π	208	208	1.77
3	Π	208	208	1.77

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.479
P2	0.000	0.000	-0.440
O3	0.000	0.000	-1.947

	P1	P2	O3
P1		1.9193	3.4258
P2	1.9193		1.5064
O3	3.4258	1.5064

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

using model chemistry: CCSD=FULL/aug-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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