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	hartrees
Energy at 0K	-716.164548
Energy at 298.15K	-716.167516
Nuclear repulsion energy	280.482919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1439	1374	215.74
2	A₁	864	825	35.81
3	A₁	458	437	31.59
4	E	1006	960	213.77
4	E	1006	960	213.74
5	E	449	429	41.29
5	E	449	429	41.29
6	E	312	298	0.18
6	E	312	298	0.18

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.154
O2	0.000	0.000	1.604
F3	0.000	1.376	-0.561
F4	1.192	-0.688	-0.561
F5	-1.192	-0.688	-0.561

	P1	O2	F3	F4	F5
P1		1.4498	1.5510	1.5510	1.5510
O2	1.4498		2.5655	2.5655	2.5655
F3	1.5510	2.5655		2.3836	2.3836
F4	1.5510	2.5655	2.3836		2.3836
F5	1.5510	2.5655	2.3836	2.3836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	P1	F3	117.465	O2	P1	F4	117.465
O2	P1	F5	117.465	F3	P1	F4	100.424
F3	P1	F5	100.424	F4	P1	F5	100.424

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

using model chemistry: B1B95/6-31G**

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	1.294
2	O	-0.464
3	F	-0.277
4	F	-0.277
5	F	-0.277

	x	y	z	Total
	0.000	0.000	-1.666	1.666
CHELPG
AIM
ESP

<r²>	100.914
(<r²>)^1/2	10.046

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

using model chemistry: B1B95/6-31G**

States and conformations

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