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	hartrees
Energy at 0K	-2532.899630
Energy at 298.15K	-2532.899076
Nuclear repulsion energy	324.694655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	743	736	53.69
2	A₁	333	330	17.28
3	E	723	716	93.21
3	E	723	715	93.44
4	E	261	258	3.25
4	E	261	258	3.40

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.395
F2	0.000	1.476	-0.483
F3	1.279	-0.738	-0.483
F4	-1.279	-0.738	-0.483

	As1	F2	F3	F4
As1		1.7182	1.7182	1.7182
F2	1.7182		2.5574	2.5574
F3	1.7182	2.5574		2.5574
F4	1.7182	2.5574	2.5574

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.180		F2	As1	F4	96.180
F3	As1	F4	96.180

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

using model chemistry: PBEPBE/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	0.544
2	F	-0.181
3	F	-0.181
4	F	-0.181

	x	y	z	Total
	0.000	0.000	1.729	1.729
CHELPG
AIM
ESP

	x	y	z
x	4.157	0.000	0.000
y	0.000	4.158	-0.001
z	0.000	-0.001	3.742

<r²>	90.272
(<r²>)^1/2	9.501

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

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

States and conformations

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