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	hartrees
Energy at 0K	-2533.600368
Energy at 298.15K	-2533.599937
Nuclear repulsion energy	329.418855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	791	756	65.78
2	A₁	357	340	23.17
3	E	766	732	106.37
3	E	766	732	106.17
4	E	279	266	4.29
4	E	278	266	4.13

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.393
F2	0.000	1.452	-0.480
F3	1.258	-0.726	-0.480
F4	-1.258	-0.726	-0.480

	As1	F2	F3	F4
As1		1.6942	1.6942	1.6942
F2	1.6942		2.5155	2.5155
F3	1.6942	2.5155		2.5155
F4	1.6942	2.5155	2.5155

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	95.870		F2	As1	F4	95.870
F3	As1	F4	95.870

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

using model chemistry: mPW1PW91/6-31G(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	0.731
2	F	-0.244
3	F	-0.244
4	F	-0.244

	x	y	z	Total
	0.000	0.000	1.848	1.848
CHELPG
AIM
ESP

	x	y	z
x	3.946	0.000	0.000
y	0.000	3.948	-0.001
z	0.000	-0.001	3.522

<r²>	88.160
(<r²>)^1/2	9.389

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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