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	hartrees
Energy at 0K	-639.320728
Energy at 298.15K	-639.322897
HF Energy	-639.320728
Nuclear repulsion energy	194.564416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	985	893	175.16
2	A'	948	859	227.35
3	A'	540	490	42.28
4	A'	386	350	6.58
5	A"	948	859	227.18
6	A"	385	349	6.57

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.435
F2	0.000	1.520	-0.242
F3	1.316	-0.760	-0.242
F4	-1.316	-0.760	-0.242

	P1	F2	F3	F4
P1		1.6636	1.6636	1.6636
F2	1.6636		2.6323	2.6323
F3	1.6636	2.6323		2.6323
F4	1.6636	2.6323	2.6323

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	P1	F3	104.588		F2	P1	F4	104.588
F3	P1	F4	104.588

All results from a given calculation for PF₃ (Phosphorus trifluoride)

using model chemistry: HF/Def2TZVPP

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	0.936
2	F	-0.312
3	F	-0.312
4	F	-0.312

	x	y	z	Total
	0.659	-0.752	0.000	1.000
CHELPG
AIM
ESP

	x	y	z
x	2.951	0.293	0.000
y	0.293	2.873	0.000
z	0.000	0.000	3.207

<r²>	71.168
(<r²>)^1/2	8.436

All results from a given calculation for PF3 (Phosphorus trifluoride)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for PF₃ (Phosphorus trifluoride)