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	hartrees
Energy at 0K	-714.236183
Energy at 298.15K	-714.239487
Nuclear repulsion energy	289.287068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1543	1402	321.64
2	A₁	961	873	40.14
3	A₁	518	471	40.57
4	E	1075	977	263.38
4	E	1075	977	263.38
5	E	522	474	61.22
5	E	522	474	61.22
6	E	361	328	0.47
6	E	361	328	0.47

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.140
O2	0.000	0.000	1.551
F3	0.000	1.340	-0.537
F4	1.160	-0.670	-0.537
F5	-1.160	-0.670	-0.537

	P1	O2	F3	F4	F5
P1		1.4100	1.5013	1.5013	1.5013
O2	1.4100		2.4807	2.4807	2.4807
F3	1.5013	2.4807		2.3202	2.3202
F4	1.5013	2.4807	2.3202		2.3202
F5	1.5013	2.4807	2.3202	2.3202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	116.844	O2	P1	F4	116.844
O2	P1	F5	116.844	F3	P1	F4	101.195
F3	P1	F5	101.195	F4	P1	F5	101.195

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

using model chemistry: HF/6-311+G(3df,2p)

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	1.651
2	O	-0.710
3	F	-0.314
4	F	-0.314
5	F	-0.314

	x	y	z	Total
	0.000	0.000	-2.151	2.151
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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