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	hartrees
Energy at 0K	-2535.111847
Energy at 298.15K	-2535.111281
HF Energy	-2534.801566
Nuclear repulsion energy	324.520773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	706	72.54
2	A₁	335	322	24.55
3	E	704	676	124.07
3	E	704	676	124.08
4	E	259	248	4.89
4	E	259	248	4.89

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.393
F2	0.000	1.500	-0.480
F3	1.299	-0.750	-0.480
F4	-1.299	-0.750	-0.480

	As1	F2	F3	F4
As1		1.7359	1.7359	1.7359
F2	1.7359		2.5984	2.5984
F3	1.7359	2.5984		2.5984
F4	1.7359	2.5984	2.5984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.912		F2	As1	F4	96.912
F3	As1	F4	96.912

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

using model chemistry: B2PLYP/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	1.006
2	F	-0.335
3	F	-0.335
4	F	-0.335

	x	y	z	Total
	0.000	0.000	2.398	2.398
CHELPG
AIM
ESP

	x	y	z
x	3.992	0.000	0.000
y	0.000	3.993	-0.001
z	0.000	-0.001	3.422

<r²>	90.874
(<r²>)^1/2	9.533

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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