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	hartrees
Energy at 0K	-716.021549
Energy at 298.15K	-716.024489
Nuclear repulsion energy	279.571235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1418	1357	214.40
2	A₁	852	815	35.35
3	A₁	456	436	30.95
4	E	994	951	212.24
4	E	994	951	212.24
5	E	447	428	40.98
5	E	447	428	40.97
6	E	311	298	0.20
6	E	311	298	0.20

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.608
F3	0.000	1.382	-0.562
F4	1.197	-0.691	-0.562
F5	-1.197	-0.691	-0.562

	P1	O2	F3	F4	F5
P1		1.4535	1.5562	1.5562	1.5562
O2	1.4535		2.5722	2.5722	2.5722
F3	1.5562	2.5722		2.3932	2.3932
F4	1.5562	2.5722	2.3932		2.3932
F5	1.5562	2.5722	2.3932	2.3932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.395	O2	P1	F4	117.395
O2	P1	F5	117.395	F3	P1	F4	100.512
F3	P1	F5	100.512	F4	P1	F5	100.512

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	P	1.309	0.957
2	O	-0.472	-0.480
3	F	-0.279	-0.159
4	F	-0.279	-0.160
5	F	-0.279	-0.159

	x	y	z	Total
	0.000	0.000	-1.691	1.691
CHELPG
AIM
ESP	-0.002	0.002	-1.705	1.705

<r²>	101.493
(<r²>)^1/2	10.074

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

using model chemistry: B3PW91/6-31G*

States and conformations

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