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	hartrees
Energy at 0K	-716.215688
Energy at 298.15K	-716.218729
Nuclear repulsion energy	283.879419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1451	1389	194.67
2	A₁	874	837	32.25
3	A₁	471	451	27.54
4	E	1007	964	188.17
4	E	1006	964	188.26
5	E	461	442	36.42
5	E	461	442	36.44
6	E	326	312	0.50
6	E	326	312	0.50

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.149
O2	0.000	0.000	1.587
F3	0.000	1.360	-0.553
F4	1.178	-0.680	-0.553
F5	-1.178	-0.680	-0.553

	P1	O2	F3	F4	F5
P1		1.4375	1.5306	1.5306	1.5306
O2	1.4375		2.5354	2.5354	2.5354
F3	1.5306	2.5354		2.3554	2.3554
F4	1.5306	2.5354	2.3554		2.3554
F5	1.5306	2.5354	2.3554	2.3554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.316	O2	P1	F4	117.316
O2	P1	F5	117.316	F3	P1	F4	100.610
F3	P1	F5	100.610	F4	P1	F5	100.610

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

using model chemistry: B1B95/6-31G(2df,p)

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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Number	Element	Mulliken
1	P	0.424
2	O	-0.301
3	F	-0.041
4	F	-0.041
5	F	-0.041

	x	y	z	Total
	0.000	0.000	-1.789	1.789
CHELPG
AIM
ESP

<r²>	98.713
(<r²>)^1/2	9.935

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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