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	hartrees
Energy at 0K	-714.082739
Energy at 298.15K	-714.086027
Nuclear repulsion energy	288.596526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1546	1400	280.71
2	A₁	959	868	34.35
3	A₁	517	468	37.91
4	E	1083	980	237.82
4	E	1083	980	237.82
5	E	518	469	59.37
5	E	518	469	59.37
6	E	360	326	0.45
6	E	360	326	0.45

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.143
O2	0.000	0.000	1.557
F3	0.000	1.341	-0.541
F4	1.161	-0.670	-0.541
F5	-1.161	-0.670	-0.541

	P1	O2	F3	F4	F5
P1		1.4140	1.5050	1.5050	1.5050
O2	1.4140		2.4896	2.4896	2.4896
F3	1.5050	2.4896		2.3223	2.3223
F4	1.5050	2.4896	2.3223		2.3223
F5	1.5050	2.4896	2.3223	2.3223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.018	O2	P1	F4	117.018
O2	P1	F5	117.018	F3	P1	F4	100.979
F3	P1	F5	100.979	F4	P1	F5	100.979

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

using model chemistry: HF/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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Number	Element	Mulliken
1	P	0.955
2	O	-0.431
3	F	-0.175
4	F	-0.175
5	F	-0.175

	x	y	z	Total
	0.000	0.000	-2.088	2.088
CHELPG
AIM
ESP

<r²>	96.477
(<r²>)^1/2	9.822

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

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

States and conformations

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