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	hartrees
Energy at 0K	-2523.133258
Energy at 298.15K	-2523.132676
Nuclear repulsion energy	324.130213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	758	732	35.16
2	A₁	322	311	30.95
3	E	745	719	58.91
3	E	745	719	58.92
4	E	246	237	5.67
4	E	246	237	5.67

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.399
F2	0.000	1.476	-0.488
F3	1.278	-0.738	-0.488
F4	-1.278	-0.738	-0.488

	As1	F2	F3	F4
As1		1.7219	1.7219	1.7219
F2	1.7219		2.5564	2.5564
F3	1.7219	2.5564		2.5564
F4	1.7219	2.5564	2.5564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	95.861		F2	As1	F4	95.861
F3	As1	F4	95.861

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

using model chemistry: B3LYP/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	1.224
2	F	-0.408
3	F	-0.408
4	F	-0.408

	x	y	z	Total
	0.000	0.000	2.510	2.510
CHELPG
AIM
ESP

	x	y	z
x	3.150	0.000	0.000
y	0.000	3.151	-0.000
z	0.000	-0.000	2.223

<r²>	90.708
(<r²>)^1/2	9.524

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

using model chemistry: B3LYP/3-21G

States and conformations

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