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	hartrees
Energy at 0K	-715.762073
Energy at 298.15K	-715.765031
Nuclear repulsion energy	280.155197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1431	1361	217.32
2	A₁	861	819	35.20
3	A₁	458	436	31.57
4	E	1003	954	213.44
4	E	1003	954	213.44
5	E	450	428	42.22
5	E	450	428	42.22
6	E	313	298	0.21
6	E	313	298	0.21

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.605
F3	0.000	1.379	-0.561
F4	1.194	-0.689	-0.561
F5	-1.194	-0.689	-0.561

	P1	O2	F3	F4	F5
P1		1.4510	1.5528	1.5528	1.5528
O2	1.4510		2.5672	2.5672	2.5672
F3	1.5528	2.5672		2.3879	2.3879
F4	1.5528	2.5672	2.3879		2.3879
F5	1.5528	2.5672	2.3879	2.3879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.400	O2	P1	F4	117.400
O2	P1	F5	117.400	F3	P1	F4	100.505
F3	P1	F5	100.505	F4	P1	F5	100.505

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

using model chemistry: HSEh1PBE/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
1	P	1.313
2	O	-0.472
3	F	-0.280
4	F	-0.280
5	F	-0.280

	x	y	z	Total
	0.000	0.000	-1.704	1.704
CHELPG
AIM
ESP

<r²>	101.178
(<r²>)^1/2	10.059

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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