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	hartrees
Energy at 0K	-756.333054
Energy at 298.15K
HF Energy	-756.073271
Nuclear repulsion energy	116.886930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1027	963	78.32
2	Σ	585	548	2.85
3	Π	28i	26i	2.86
3	Π	28i	26i	2.86

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.547
P2	0.000	0.000	-0.453
O3	0.000	0.000	-2.052

	P1	P2	O3
P1		2.0000	3.5991
P2	2.0000		1.5991
O3	3.5991	1.5991

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

using model chemistry: CISD/6-31G

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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