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	hartrees
Energy at 0K	-2535.020887
Energy at 298.15K	-2535.020159
HF Energy	-2535.020887
Nuclear repulsion energy	319.418437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	689	680	64.87
2	A₁	310	306	18.42
3	E	654	646	121.69
3	E	654	646	121.67
4	E	238	235	4.01
4	E	238	235	4.01

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.396
F2	0.000	1.523	-0.484
F3	1.319	-0.762	-0.484
F4	-1.319	-0.762	-0.484

	As1	F2	F3	F4
As1		1.7597	1.7597	1.7597
F2	1.7597		2.6387	2.6387
F3	1.7597	2.6387		2.6387
F4	1.7597	2.6387	2.6387

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	97.143		F2	As1	F4	97.143
F3	As1	F4	97.143

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.911
2	F	-0.304
3	F	-0.304
4	F	-0.304

	x	y	z	Total
	0.000	0.000	2.452	2.452
CHELPG
AIM
ESP

	x	y	z
x	4.290	0.000	0.000
y	0.000	4.291	-0.000
z	0.000	-0.000	3.693

<r²>	93.230
(<r²>)^1/2	9.656

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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