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	hartrees
Energy at 0K	-716.215062
Energy at 298.15K	-716.218050
HF Energy	-716.215062
Nuclear repulsion energy	280.853545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1433	1370	253.46
2	A₁	836	799	47.46
3	A₁	464	444	38.69
4	E	949	908	253.65
4	E	949	908	253.62
5	E	454	435	48.48
5	E	454	435	48.47
6	E	321	307	0.41
6	E	321	307	0.41

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.598
F3	0.000	1.380	-0.559
F4	1.195	-0.690	-0.559
F5	-1.195	-0.690	-0.559

	P1	O2	F3	F4	F5
P1		1.4435	1.5533	1.5533	1.5533
O2	1.4435		2.5603	2.5603	2.5603
F3	1.5533	2.5603		2.3901	2.3901
F4	1.5533	2.5603	2.3901		2.3901
F5	1.5533	2.5603	2.3901	2.3901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.326	O2	P1	F4	117.326
O2	P1	F5	117.326	F3	P1	F4	100.598
F3	P1	F5	100.598	F4	P1	F5	100.598

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

using model chemistry: wB97X-D/6-311G**

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	1.420
2	O	-0.501
3	F	-0.306
4	F	-0.306
5	F	-0.306

	x	y	z	Total
	0.000	0.000	-1.531	1.531
CHELPG
AIM
ESP

	x	y	z
x	2.560	0.000	0.000
y	0.000	2.560	-0.000
z	0.000	-0.000	3.237

<r²>	101.381
(<r²>)^1/2	10.069

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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