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	hartrees
Energy at 0K	-716.009031
Energy at 298.15K	-716.011871
HF Energy	-716.009031
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1366	1340	189.87
2	A₁	813	797	35.25
3	A₁	442	433	27.00
4	E	954	935	198.78
4	E	954	935	198.76
5	E	430	422	33.94
5	E	430	422	33.93
6	E	300	295	0.16
6	E	300	295	0.16

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.156
O2	0.000	0.000	1.620
F3	0.000	1.395	-0.566
F4	1.208	-0.698	-0.566
F5	-1.208	-0.698	-0.566

	P1	O2	F3	F4	F5
P1		1.4645	1.5711	1.5711	1.5711
O2	1.4645		2.5937	2.5937	2.5937
F3	1.5711	2.5937		2.4169	2.4169
F4	1.5711	2.5937	2.4169		2.4169
F5	1.5711	2.5937	2.4169	2.4169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.294	O2	P1	F4	117.294
O2	P1	F5	117.294	F3	P1	F4	100.637
F3	P1	F5	100.637	F4	P1	F5	100.637

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

using model chemistry: B97D3/6-31G*

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	1.240
2	O	-0.444
3	F	-0.265
4	F	-0.265
5	F	-0.265

	x	y	z	Total
	0.000	0.000	-1.598	1.598
CHELPG
AIM
ESP

<r²>	102.914
(<r²>)^1/2	10.145

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

using model chemistry: B97D3/6-31G*

States and conformations

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