return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for AsF3 (Arsenic trifluoride) 1A1 C3V

1910171554
InChI=1S/AsF3/c2-1(3)4 INChIKey=JCMGUODNZMETBM-UHFFFAOYSA-N

BLYP/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
As1 0.0000 0.0000 0.3963   0.0000 -0.0000 0.3963
F2 0.0000 1.5230 -0.4844   0.0000 1.5230 -0.4844
F3 1.3189 -0.7615 -0.4844   1.3189 -0.7615 -0.4844
F4 -1.3189 -0.7615 -0.4844   -1.3189 -0.7615 -0.4844
Atom - Atom Distances (Å)
  As1 F2 F3 F4
As1 1.7593 1.7593 1.7593
F2 1.7593 2.6378 2.6378
F3 1.7593 2.6378 2.6378
F4 1.7593 2.6378 2.6378
Maximum atom distance is 2.6378Å between atoms F2 and F3.
picture of Arsenic trifluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 As1 F3 97.125 F2 As1 F4 97.125
F3 As1 F4 97.125

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.