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Geometry for HSO3F (Fluorosulfonic acid) 1A C1

1910171554
InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4) INChIKey=UQSQSQZYBQSBJZ-UHFFFAOYSA-N

wB97X-D/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 -1.2055 -0.8601 0.2501   -1.0137 0.0498 1.1071
H2 -1.9832 -0.2874 0.2055   -1.3684 0.9488 1.1336
S3 0.0828 -0.0004 -0.1514   -0.0345 -0.0735 -0.1523
F4 0.4052 0.6192 1.2867   1.2991 0.4770 0.5365
O5 -0.3114 1.1131 -0.9726   -0.3905 0.9064 -1.1436
O6 1.1434 -0.9128 -0.4477   0.1826 -1.4644 -0.4040
Atom - Atom Distances (Å)
  O1 H2 S3 F4 O5 O6
O1 0.9668 1.6001 2.4202 2.4875 2.4509
H2 0.9668 2.1162 2.7740 2.4787 3.2547
S3 1.6001 2.1162 1.5987 1.4386 1.4300
F4 2.4202 2.7740 1.5987 2.4211 2.4290
O5 2.4875 2.4787 1.4386 2.4211 2.5487
O6 2.4509 3.2547 1.4300 2.4290 2.5487
Maximum atom distance is 3.2547Å between atoms H2 and O6.
picture of Fluorosulfonic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 S3 F4 98.329 O1 S3 O5 109.782
O1 S3 O6 107.837 F4 S3 O5 105.592
F4 S3 O6 106.505 O5 S3 O6 125.367
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 O1 S3 108.531

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