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	hartrees
Energy at 0K	-756.725781
Energy at 298.15K	-756.726903
HF Energy	-756.274127
Nuclear repulsion energy	123.246766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1276	1276	114.38
2	Σ	675	675	4.04
3	Π	215	215	4.34
3	Π	215	215	4.34

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.473
P2	0.000	0.000	-0.439
O3	0.000	0.000	-1.938

	P1	P2	O3
P1		1.9120	3.4111
P2	1.9120		1.4991
O3	3.4111	1.4991

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

using model chemistry: CCSD=FULL/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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