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	hartrees
Energy at 0K	-713.606094
Energy at 298.15K	-713.609074
Nuclear repulsion energy	283.911043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1429	1406	169.09
2	A₁	863	849	28.74
3	A₁	460	452	23.99
4	E	1007	990	167.71
4	E	1006	990	167.71
5	E	446	439	30.91
5	E	446	439	30.91
6	E	316	311	0.57
6	E	316	311	0.57

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.149
O2	0.000	0.000	1.591
F3	0.000	1.358	-0.554
F4	1.176	-0.679	-0.554
F5	-1.176	-0.679	-0.554

	P1	O2	F3	F4	F5
P1		1.4420	1.5290	1.5290	1.5290
O2	1.4420		2.5386	2.5386	2.5386
F3	1.5290	2.5386		2.3517	2.3517
F4	1.5290	2.5386	2.3517		2.3517
F5	1.5290	2.5386	2.3517	2.3517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.375	O2	P1	F4	117.375
O2	P1	F5	117.375	F3	P1	F4	100.536
F3	P1	F5	100.536	F4	P1	F5	100.536

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.136
2	O	-0.258
3	F	0.041
4	F	0.041
5	F	0.041

	x	y	z	Total
	0.000	0.000	-1.795	1.795
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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