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	hartrees
Energy at 0K	-379.440648
Energy at 298.15K	-379.443286
Nuclear repulsion energy	151.685529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1138	1024	165.68
2	A₁	771	694	17.09
3	A₁	414	372	70.79
4	E	928	835	214.57
4	E	928	835	214.57
5	E	387	348	81.43
5	E	387	348	81.43
6	E	278	250	2.07
6	E	278	250	2.07

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.216
O2	0.000	0.000	1.749
F3	0.000	1.431	-0.558
F4	1.240	-0.716	-0.558
F5	-1.240	-0.716	-0.558

	P1	O2	F3	F4	F5
P1		1.5330	1.6271	1.6271	1.6271
O2	1.5330		2.7146	2.7146	2.7146
F3	1.6271	2.7146		2.4793	2.4793
F4	1.6271	2.7146	2.4793		2.4793
F5	1.6271	2.7146	2.4793	2.4793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	118.387	O2	P1	F4	118.387
O2	P1	F5	118.387	F3	P1	F4	99.262
F3	P1	F5	99.262	F4	P1	F5	99.262

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

using model chemistry: HF/LANL2DZ

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	2.225
2	O	-0.765
3	F	-0.487
4	F	-0.487
5	F	-0.487

	x	y	z	Total
	0.000	0.000	-1.104	1.104
CHELPG
AIM
ESP

<r²>	111.361
(<r²>)^1/2	10.553

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

using model chemistry: HF/LANL2DZ

States and conformations

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