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	hartrees
Energy at 0K	-756.779197
Energy at 298.15K	-756.780218
HF Energy	-756.286295
Nuclear repulsion energy	121.280991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1180	1154
2	Σ	622	608
3	Π	192	187
3	Π	192	187

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.496
P2	0.000	0.000	-0.445
O3	0.000	0.000	-1.970

	P1	P2	O3
P1		1.9416	3.4665
P2	1.9416		1.5249
O3	3.4665	1.5249

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

using model chemistry: QCISD(T)/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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