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	hartrees
Energy at 0K	-716.342723
Energy at 298.15K	-716.345660
Nuclear repulsion energy	279.489748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1406	1358	233.91
2	A₁	827	800	44.40
3	A₁	457	442	37.29
4	E	948	916	240.40
4	E	948	916	240.40
5	E	444	429	45.39
5	E	444	429	45.39
6	E	315	305	0.38
6	E	315	305	0.38

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.155
O2	0.000	0.000	1.603
F3	0.000	1.384	-0.561
F4	1.199	-0.692	-0.561
F5	-1.199	-0.692	-0.561

	P1	O2	F3	F4	F5
P1		1.4479	1.5586	1.5586	1.5586
O2	1.4479		2.5691	2.5691	2.5691
F3	1.5586	2.5691		2.3975	2.3975
F4	1.5586	2.5691	2.3975		2.3975
F5	1.5586	2.5691	2.3975	2.3975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.362	O2	P1	F4	117.362
O2	P1	F5	117.362	F3	P1	F4	100.553
F3	P1	F5	100.553	F4	P1	F5	100.553

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

using model chemistry: B3LYP/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	ESP
1	P	1.412	1.263
2	O	-0.496	-0.561
3	F	-0.305	-0.234
4	F	-0.305	-0.234
5	F	-0.305	-0.234

	x	y	z	Total
	0.000	0.000	-1.489	1.489
CHELPG
AIM
ESP	-0.000	0.004	-1.488	1.488

<r²>	102.292
(<r²>)^1/2	10.114

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

using model chemistry: B3LYP/6-311G*

States and conformations

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