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	hartrees
Energy at 0K	-716.088842
Energy at 298.15K	-716.091803
HF Energy	-716.088842
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1433	1359	226.63
2	A₁	852	808	37.63
3	A₁	460	437	32.50
4	E	987	936	221.46
4	E	987	936	221.38
5	E	454	431	43.93
5	E	454	431	43.90
6	E	314	298	0.21
6	E	314	298	0.21

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.604
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		1.4501	1.5545	1.5545	1.5545
O2	1.4501		2.5679	2.5679	2.5679
F3	1.5545	2.5679		2.3904	2.3904
F4	1.5545	2.5679	2.3904		2.3904
F5	1.5545	2.5679	2.3904	2.3904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.403	O2	P1	F4	117.403
O2	P1	F5	117.403	F3	P1	F4	100.501
F3	P1	F5	100.501	F4	P1	F5	100.501

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

using model chemistry: wB97X-D/6-31G*

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	1.337
2	O	-0.480
3	F	-0.286
4	F	-0.286
5	F	-0.286

	x	y	z	Total
	0.000	0.000	-1.713	1.713
CHELPG
AIM
ESP

	x	y	z
x	2.693	0.000	0.000
y	0.000	2.694	-0.000
z	0.000	-0.000	3.301

<r²>	101.142
(<r²>)^1/2	10.057

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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