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	hartrees
Energy at 0K	-716.051465
Energy at 298.15K	-716.054487
HF Energy	-716.051465
Nuclear repulsion energy	281.253505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1461	1383	241.36
2	A₁	889	842	36.08
3	A₁	468	443	35.59
4	E	1024	970	225.95
4	E	1024	970	225.96
5	E	462	438	49.18
5	E	462	438	49.13
6	E	321	304	0.29
6	E	321	304	0.29

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.600
F3	0.000	1.372	-0.560
F4	1.188	-0.686	-0.560
F5	-1.188	-0.686	-0.560

	P1	O2	F3	F4	F5
P1		1.4457	1.5468	1.5468	1.5468
O2	1.4457		2.5586	2.5586	2.5586
F3	1.5468	2.5586		2.3768	2.3768
F4	1.5468	2.5586	2.3768		2.3768
F5	1.5468	2.5586	2.3768	2.3768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.484	O2	P1	F4	117.484
O2	P1	F5	117.484	F3	P1	F4	100.400
F3	P1	F5	100.400	F4	P1	F5	100.400

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

using model chemistry: M06-2X/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	1.388
2	O	-0.503
3	F	-0.295
4	F	-0.295
5	F	-0.295

	x	y	z	Total
	0.000	0.000	-1.750	1.750
CHELPG
AIM
ESP

	x	y	z
x	2.634	0.000	0.000
y	0.000	2.639	-0.001
z	0.000	-0.001	3.230

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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