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	hartrees
Energy at 0K	-2533.406878
Energy at 298.15K	-2533.406424
Nuclear repulsion energy	328.411945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	781	750	64.07
2	A₁	352	339	22.08
3	E	756	727	104.76
3	E	756	727	104.55
4	E	275	265	4.15
4	E	275	264	3.98

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.393
F2	0.000	1.458	-0.480
F3	1.263	-0.729	-0.480
F4	-1.263	-0.729	-0.480

	As1	F2	F3	F4
As1		1.6991	1.6991	1.6991
F2	1.6991		2.5253	2.5253
F3	1.6991	2.5253		2.5253
F4	1.6991	2.5253	2.5253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	95.995		F2	As1	F4	95.995
F3	As1	F4	95.995

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.706
2	F	-0.235
3	F	-0.235
4	F	-0.235

	x	y	z	Total
	0.000	0.000	1.843	1.843
CHELPG
AIM
ESP

	x	y	z
x	3.980	0.000	0.000
y	0.000	3.982	-0.001
z	0.000	-0.001	3.561

<r²>	88.614
(<r²>)^1/2	9.414

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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