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	hartrees
Energy at 0K	-716.250839
Energy at 298.15K	-716.253823
HF Energy	-716.250839
Nuclear repulsion energy	282.078233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1415	1366	183.48
2	A₁	849	819	31.46
3	A₁	462	446	25.67
4	E	982	948	179.72
4	E	982	948	179.72
5	E	451	435	32.92
5	E	451	435	32.93
6	E	319	308	0.47
6	E	319	308	0.47

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.601
F3	0.000	1.372	-0.560
F4	1.188	-0.686	-0.560
F5	-1.188	-0.686	-0.560

	P1	O2	F3	F4	F5
P1		1.4477	1.5463	1.5463	1.5463
O2	1.4477		2.5598	2.5598	2.5598
F3	1.5463	2.5598		2.3761	2.3761
F4	1.5463	2.5598	2.3761		2.3761
F5	1.5463	2.5598	2.3761	2.3761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.480	O2	P1	F4	117.480
O2	P1	F5	117.480	F3	P1	F4	100.406
F3	P1	F5	100.406	F4	P1	F5	100.406

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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