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Geometry for H2SO4 (Sulfuric acid) 1A C1

1910171554
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4) INChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N

MP2=FULL/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.1679   0.0000 0.0000 0.1679
O2 0.0000 1.2689 0.8270   -0.8122 -0.9749 0.8270
O3 0.0000 -1.2689 0.8270   0.8122 0.9749 0.8270
O4 1.2428 -0.0538 -0.8473   -0.9204 0.8368 -0.8473
O5 -1.2428 0.0538 -0.8473   0.9204 -0.8368 -0.8473
H6 -1.4511 -0.8288 -1.1810   1.6454 -0.2921 -1.1810
H7 1.4511 0.8288 -1.1810   -1.6454 0.2921 -1.1810
Atom - Atom Distances (Å)
  S1 O2 O3 O4 O5 H6 H7
S1 1.4298 1.4298 1.6057 1.6057 2.1476 2.1476
O2 1.4298 2.5377 2.4693 2.4134 3.2462 2.5163
O3 1.4298 2.5377 2.4134 2.4693 2.5163 3.2462
O4 1.6057 2.4693 2.4134 2.4879 2.8230 0.9663
O5 1.6057 2.4134 2.4693 2.4879 0.9663 2.8230
H6 2.1476 3.2462 2.5163 2.8230 0.9663 3.3422
H7 2.1476 2.5163 3.2462 0.9663 2.8230 3.3422
Maximum atom distance is 3.3422Å between atoms H6 and H7.
picture of Sulfuric acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 S1 O3 125.104 O2 S1 O4 108.734
O2 S1 O5 105.172 O3 S1 O4 105.172
O3 S1 O5 108.734 O4 S1 O5 101.560
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O4 H7 110.770 S1 O5 H6 110.770

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