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	hartrees
Energy at 0K	-2535.643795
Energy at 298.15K	-2535.643109
HF Energy	-2535.643795
Nuclear repulsion energy	320.413439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	694	670	77.81
2	A₁	320	309	24.42
3	E	657	634	133.44
3	E	657	634	133.44
4	E	245	237	5.36
4	E	245	237	5.36

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.403
F2	0.000	1.494	-0.492
F3	1.294	-0.747	-0.492
F4	-1.294	-0.747	-0.492

	As1	F2	F3	F4
As1		1.7416	1.7416	1.7416
F2	1.7416		2.5877	2.5877
F3	1.7416	2.5877		2.5877
F4	1.7416	2.5877	2.5877

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	95.959		F2	As1	F4	95.959
F3	As1	F4	95.959

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

using model chemistry: B3LYP/TZVP

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	1.108
2	F	-0.369
3	F	-0.369
4	F	-0.369

	x	y	z	Total
	0.000	0.000	2.931	2.931
CHELPG
AIM
ESP

	x	y	z
x	3.947	0.000	0.000
y	0.000	3.948	-0.001
z	0.000	-0.001	3.279

<r²>	93.019
(<r²>)^1/2	9.645

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

using model chemistry: B3LYP/TZVP

States and conformations

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