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	hartrees
Energy at 0K	-2523.615182
Energy at 298.15K	-2523.614677
Nuclear repulsion energy	323.496102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	799	763	47.40
2	A₁	329	314	24.49
3	E	790	754	74.01
3	E	790	754	73.94
4	E	256	245	4.90
4	E	256	245	4.90

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.398
F2	0.000	1.480	-0.487
F3	1.282	-0.740	-0.487
F4	-1.282	-0.740	-0.487

	As1	F2	F3	F4
As1		1.7249	1.7249	1.7249
F2	1.7249		2.5639	2.5639
F3	1.7249	2.5639		2.5639
F4	1.7249	2.5639	2.5639

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.010		F2	As1	F4	96.010
F3	As1	F4	96.010

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

using model chemistry: B1B95/3-21G*

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	0.860
2	F	-0.287
3	F	-0.287
4	F	-0.287

	x	y	z	Total
	0.000	0.000	2.163	2.163
CHELPG
AIM
ESP

	x	y	z
x	3.181	0.000	0.000
y	0.000	3.183	-0.001
z	0.000	-0.001	2.593

<r²>	90.587
(<r²>)^1/2	9.518

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

using model chemistry: B1B95/3-21G*

States and conformations

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