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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

B3LYP/CEP-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.2201   0.0000 0.0000 0.2201
O2 0.0000 1.2935 0.8955   1.2925 -0.0509 0.8955
O3 0.0000 -1.2935 0.8955   -1.2925 0.0509 0.8955
O4 1.2699 -0.0499 -0.8224   0.0001 1.2708 -0.8224
O5 -1.2699 0.0499 -0.8224   -0.0001 -1.2708 -0.8224
H6 -1.4574 -0.8727 -1.0992   -0.9293 -1.4220 -1.0992
H7 1.4574 0.8727 -1.0992   0.9293 1.4220 -1.0992
Atom - Atom Distances (Å)
  S1 O2 O3 O4 O5 H6 H7
S1 1.4593 1.4593 1.6437 1.6437 2.1508 2.1508
O2 1.4593 2.5871 2.5236 2.4719 3.2857 2.5060
O3 1.4593 2.5871 2.4719 2.5236 2.5060 3.2857
O4 1.6437 2.5236 2.4719 2.5417 2.8621 0.9813
O5 1.6437 2.4719 2.5236 2.5417 0.9813 2.8621
H6 2.1508 3.2857 2.5060 2.8621 0.9813 3.3975
H7 2.1508 2.5060 3.2857 0.9813 2.8621 3.3975
Maximum atom distance is 3.3975Å 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 124.853 O2 S1 O4 108.692
O2 S1 O5 105.465 O3 S1 O4 105.465
O3 S1 O5 108.692 O4 S1 O5 101.277
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 O4 H7 107.339 S1 O5 H6 107.339

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