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	hartrees
Energy at 0K	-2535.550425
Energy at 298.15K	-2535.549824
Nuclear repulsion energy	320.412925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	740	709	65.89
2	A₁	322	309	25.98
3	E	718	688	106.41
3	E	718	688	106.39
4	E	248	238	5.54
4	E	248	238	5.54

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.401
F2	0.000	1.496	-0.490
F3	1.296	-0.748	-0.490
F4	-1.296	-0.748	-0.490

	As1	F2	F3	F4
As1		1.7412	1.7412	1.7412
F2	1.7412		2.5916	2.5916
F3	1.7412	2.5916		2.5916
F4	1.7412	2.5916	2.5916

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.186		F2	As1	F4	96.186
F3	As1	F4	96.186

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

using model chemistry: mPW1PW91/cc-pVDZ

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	1.074
2	F	-0.358
3	F	-0.358
4	F	-0.358

	x	y	z	Total
	0.000	0.000	2.646	2.646
CHELPG
AIM
ESP

	x	y	z
x	3.526	0.000	0.000
y	0.000	3.526	-0.000
z	0.000	-0.000	2.853

<r²>	92.447
(<r²>)^1/2	9.615

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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