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	hartrees
Energy at 0K	-716.303937
Energy at 298.15K	-716.306954
HF Energy	-716.303937
Nuclear repulsion energy	282.256781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1414	1353	242.39
2	A₁	849	812	41.76
3	A₁	467	446	32.38
4	E	960	919	224.78
4	E	960	919	224.89
5	E	460	440	40.30
5	E	460	440	40.34
6	E	322	308	0.52
6	E	322	308	0.51

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.152
O2	0.000	0.000	1.597
F3	0.000	1.373	-0.557
F4	1.189	-0.687	-0.557
F5	-1.189	-0.687	-0.557

	P1	O2	F3	F4	F5
P1		1.4449	1.5457	1.5457	1.5457
O2	1.4449		2.5547	2.5547	2.5547
F3	1.5457	2.5547		2.3787	2.3787
F4	1.5457	2.5547	2.3787		2.3787
F5	1.5457	2.5547	2.3787	2.3787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.316	O2	P1	F4	117.316
O2	P1	F5	117.316	F3	P1	F4	100.610
F3	P1	F5	100.610	F4	P1	F5	100.610

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	2.045
2	O	-0.650
3	F	-0.465
4	F	-0.465
5	F	-0.465

	x	y	z	Total
	0.000	0.000	-1.845	1.845
CHELPG
AIM
ESP

<r²>	100.325
(<r²>)^1/2	10.016

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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