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	hartrees
Energy at 0K	-715.538382
Energy at 298.15K	-715.541493
Nuclear repulsion energy	284.179955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1443	1368	212.01
2	A₁	879	834	40.24
3	A₁	484	459	34.91
4	E	1004	952	224.16
4	E	1004	952	224.16
5	E	473	448	40.96
5	E	473	448	40.96
6	E	337	319	0.53
6	E	337	319	0.53

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.146
O2	0.000	0.000	1.584
F3	0.000	1.360	-0.551
F4	1.178	-0.680	-0.551
F5	-1.178	-0.680	-0.551

	P1	O2	F3	F4	F5
P1		1.4384	1.5278	1.5278	1.5278
O2	1.4384		2.5313	2.5313	2.5313
F3	1.5278	2.5313		2.3551	2.3551
F4	1.5278	2.5313	2.3551		2.3551
F5	1.5278	2.5313	2.3551	2.3551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.129	O2	P1	F4	117.129
O2	P1	F5	117.129	F3	P1	F4	100.842
F3	P1	F5	100.842	F4	P1	F5	100.842

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

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for F3PO (Phosphoryl fluoride)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

States and conformations

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