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	hartrees
Energy at 0K	-716.034372
Energy at 298.15K	-716.037185
HF Energy	-716.034372
Nuclear repulsion energy	276.066422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1345	1322	219.44
2	A₁	788	775	47.22
3	A₁	436	429	29.71
4	E	912	896	235.47
4	E	912	896	235.45
5	E	424	417	35.72
5	E	424	417	35.72
6	E	300	295	0.25
6	E	300	295	0.25

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.158
O2	0.000	0.000	1.624
F3	0.000	1.401	-0.569
F4	1.213	-0.700	-0.569
F5	-1.213	-0.700	-0.569

	P1	O2	F3	F4	F5
P1		1.4658	1.5780	1.5780	1.5780
O2	1.4658		2.6017	2.6017	2.6017
F3	1.5780	2.6017		2.4263	2.4263
F4	1.5780	2.6017	2.4263		2.4263
F5	1.5780	2.6017	2.4263	2.4263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.285	O2	P1	F4	117.285
O2	P1	F5	117.285	F3	P1	F4	100.648
F3	P1	F5	100.648	F4	P1	F5	100.648

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

using model chemistry: B97D3/6-31+G**

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	1.927
2	O	-0.598
3	F	-0.443
4	F	-0.443
5	F	-0.443

	x	y	z	Total
	0.000	0.000	-1.487	1.487
CHELPG
AIM
ESP

<r²>	104.238
(<r²>)^1/2	10.210

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

using model chemistry: B97D3/6-31+G**

States and conformations

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