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	hartrees
Energy at 0K	-715.716383
Energy at 298.15K	-715.719157
Nuclear repulsion energy	275.169814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1338	1322	210.16
2	A₁	783	774	45.84
3	A₁	429	424	28.60
4	E	907	897	227.80
4	E	907	896	227.77
5	E	417	412	33.91
5	E	417	412	33.92
6	E	295	291	0.22
6	E	295	291	0.22

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.159
O2	0.000	0.000	1.631
F3	0.000	1.404	-0.572
F4	1.216	-0.702	-0.572
F5	-1.216	-0.702	-0.572

	P1	O2	F3	F4	F5
P1		1.4718	1.5830	1.5830	1.5830
O2	1.4718		2.6124	2.6124	2.6124
F3	1.5830	2.6124		2.4317	2.4317
F4	1.5830	2.6124	2.4317		2.4317
F5	1.5830	2.6124	2.4317	2.4317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.515	O2	P1	F4	117.515
O2	P1	F5	117.515	F3	P1	F4	100.362
F3	P1	F5	100.362	F4	P1	F5	100.362

All results from a given calculation for F₃PO (Phosphoryl fluoride)

using model chemistry: PBEPBE/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	P	1.802
2	O	-0.562
3	F	-0.413
4	F	-0.413
5	F	-0.413

	x	y	z	Total
	0.000	0.000	-1.441	1.441
CHELPG
AIM
ESP

<r²>	104.896
(<r²>)^1/2	10.242

All results from a given calculation for F3PO (Phosphoryl fluoride)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for F₃PO (Phosphoryl fluoride)