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	hartrees
Energy at 0K	-716.043548
Energy at 298.15K	-716.046473
Nuclear repulsion energy	278.807699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1398	1343	240.67
2	A₁	832	799	45.51
3	A₁	452	434	33.56
4	E	959	921	244.54
4	E	959	921	244.52
5	E	442	425	42.79
5	E	442	425	42.80
6	E	312	299	0.30
6	E	312	299	0.30

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.156
O2	0.000	0.000	1.610
F3	0.000	1.386	-0.564
F4	1.200	-0.693	-0.564
F5	-1.200	-0.693	-0.564

	P1	O2	F3	F4	F5
P1		1.4548	1.5614	1.5614	1.5614
O2	1.4548		2.5782	2.5782	2.5782
F3	1.5614	2.5782		2.4005	2.4005
F4	1.5614	2.5782	2.4005		2.4005
F5	1.5614	2.5782	2.4005	2.4005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.427	O2	P1	F4	117.427
O2	P1	F5	117.427	F3	P1	F4	100.471
F3	P1	F5	100.471	F4	P1	F5	100.472

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

using model chemistry: B3PW91/6-31+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	2.006
2	O	-0.623
3	F	-0.461
4	F	-0.461
5	F	-0.461

	x	y	z	Total
	0.000	0.000	-1.604	1.604
CHELPG
AIM
ESP

<r²>	102.572
(<r²>)^1/2	10.128

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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