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	hartrees
Energy at 0K	-714.136893
Energy at 298.15K	-714.140146
Nuclear repulsion energy	286.370759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1541	1393	346.61
2	A₁	942	852	46.36
3	A₁	512	463	52.62
4	E	1057	956	302.29
4	E	1057	956	302.29
5	E	509	460	75.93
5	E	509	460	75.93
6	E	357	323	0.66
6	E	357	323	0.66

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.147
O2	0.000	0.000	1.564
F3	0.000	1.353	-0.545
F4	1.172	-0.676	-0.545
F5	-1.172	-0.676	-0.545

	P1	O2	F3	F4	F5
P1		1.4165	1.5196	1.5196	1.5196
O2	1.4165		2.5054	2.5054	2.5054
F3	1.5196	2.5054		2.3430	2.3430
F4	1.5196	2.5054	2.3430		2.3430
F5	1.5196	2.5054	2.3430	2.3430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.100	O2	P1	F4	117.100
O2	P1	F5	117.100	F3	P1	F4	100.877
F3	P1	F5	100.877	F4	P1	F5	100.877

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	P	1.773	1.681	1.579
2	O	-0.630	-0.732	-0.699
3	F	-0.381	-0.316	-0.293
4	F	-0.381	-0.316	-0.294
5	F	-0.381	-0.316	-0.293

	x	y	z	Total
	0.000	0.000	-1.824	1.824
CHELPG
AIM
ESP	-0.001	0.004	-1.828	1.828

<r²>	98.546
(<r²>)^1/2	9.927

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

using model chemistry: HF/6-311G*

States and conformations

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