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	hartrees
Energy at 0K	-2535.040917
Energy at 298.15K	-2535.040208
Nuclear repulsion energy	319.642083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	691	686	62.49
2	A₁	310	308	18.25
3	E	662	657	112.72
3	E	662	657	112.70
4	E	238	237	3.81
4	E	238	237	3.81

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.399
F2	0.000	1.502	-0.488
F3	1.301	-0.751	-0.488
F4	-1.301	-0.751	-0.488

	As1	F2	F3	F4
As1		1.7449	1.7449	1.7449
F2	1.7449		2.6018	2.6018
F3	1.7449	2.6018		2.6018
F4	1.7449	2.6018	2.6018

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.415		F2	As1	F4	96.415
F3	As1	F4	96.415

All results from a given calculation for AsF₃ (Arsenic trifluoride)

using model chemistry: PBEPBE/cc-pVTZ

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	As	0.906
2	F	-0.302
3	F	-0.302
4	F	-0.302

	x	y	z	Total
	0.000	0.000	2.312	2.312
CHELPG
AIM
ESP

	x	y	z
x	4.221	0.000	0.000
y	0.000	4.222	-0.000
z	0.000	-0.000	3.664

<r²>	93.025
(<r²>)^1/2	9.645

All results from a given calculation for AsF3 (Arsenic trifluoride)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for AsF₃ (Arsenic trifluoride)