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	hartrees
Energy at 0K	-715.737618
Energy at 298.15K	-715.740517
Nuclear repulsion energy	279.861164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1375	1361	162.41
2	A₁	816	808	30.83
3	A₁	449	444	22.54
4	E	951	941	166.56
4	E	951	941	166.55
5	E	436	432	27.89
5	E	436	432	27.89
6	E	309	306	0.44
6	E	309	306	0.44

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.152
O2	0.000	0.000	1.609
F3	0.000	1.380	-0.561
F4	1.195	-0.690	-0.561
F5	-1.195	-0.690	-0.561

	P1	O2	F3	F4	F5
P1		1.4570	1.5529	1.5529	1.5529
O2	1.4570		2.5713	2.5713	2.5713
F3	1.5529	2.5713		2.3896	2.3896
F4	1.5529	2.5713	2.3896		2.3896
F5	1.5529	2.5713	2.3896	2.3896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.327	O2	P1	F4	117.327
O2	P1	F5	117.327	F3	P1	F4	100.596
F3	P1	F5	100.596	F4	P1	F5	100.596

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

using model chemistry: PBEPBE/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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HF vs MP2 Bad vib. Calc. vs exp. 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Number	Element	Mulliken
1	P	0.299
2	O	-0.265
3	F	-0.011
4	F	-0.011
5	F	-0.011

	x	y	z	Total
	0.000	0.000	-1.710	1.710
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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