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	hartrees
Energy at 0K	-2535.132481
Energy at 298.15K	-2535.131881
HF Energy	-2534.810461
Nuclear repulsion energy	323.941534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	726	698	72.73
2	A₁	330	317	23.55
3	E	691	664	131.98
3	E	691	664	131.98
4	E	255	245	4.82
4	E	254	244	4.84

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.399
F2	0.000	1.477	-0.488
F3	1.279	-0.738	-0.488
F4	-1.279	-0.738	-0.488

	As1	F2	F3	F4
As1		1.7229	1.7229	1.7229
F2	1.7229		2.5579	2.5579
F3	1.7229	2.5579		2.5579
F4	1.7229	2.5579	2.5579

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	95.861		F2	As1	F4	95.861
F3	As1	F4	95.861

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

using model chemistry: B2PLYP/aug-cc-pVTZ

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	1.746
2	F	-0.582
3	F	-0.582
4	F	-0.582

	x	y	z	Total
	0.000	0.000	2.521	2.521
CHELPG
AIM
ESP

	x	y	z
x	4.640	0.000	0.000
y	0.000	4.640	-0.000
z	0.000	-0.000	4.116

<r²>	91.372
(<r²>)^1/2	9.559

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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