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Geometry for H3PO4 (Phosphoric Acid) 1A C3

1910171554
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) INChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-N

mPW1PW91/6-31G**


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1149   0.1149 0.0000 0.0000
O2 0.0000 0.0000 1.5887   1.5887 0.0000 0.0000
O3 0.0000 1.4363 -0.5919   -0.5919 1.1950 0.7967
O4 1.2438 -0.7181 -0.5919   -0.5919 -1.2875 0.6366
O5 -1.2438 -0.7181 -0.5919   -0.5919 0.0924 -1.4333
H6 0.5125 2.0687 -0.0760   -0.0760 1.4370 1.5739
H7 1.5353 -1.4782 -0.0760   -0.0760 -2.0816 0.4575
H8 -2.0478 -0.5905 -0.0760   -0.0760 0.6446 -2.0315
Atom - Atom Distances (Å)
  P1 O2 O3 O4 O5 H6 H7 H8
P1 1.4738 1.6007 1.6007 1.6007 2.1398 2.1398 2.1398
O2 1.4738 2.6110 2.6110 2.6110 2.7043 2.7043 2.7043
O3 1.6007 2.6110 2.4877 2.4877 0.9637 3.3343 2.9270
O4 1.6007 2.6110 2.4877 2.4877 2.9270 0.9637 3.3343
O5 1.6007 2.6110 2.4877 2.4877 3.3343 2.9270 0.9637
H6 2.1398 2.7043 0.9637 2.9270 3.3343 3.6915 3.6915
H7 2.1398 2.7043 3.3343 0.9637 2.9270 3.6915 3.6915
H8 2.1398 2.7043 2.9270 3.3343 0.9637 3.6915 3.6915
Maximum atom distance is 3.6915Å between atoms H6 and H7.
picture of Phosphoric Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 O3 116.201 O2 P1 O4 116.201
O2 P1 O5 116.201 O3 P1 O4 101.981
O3 P1 O5 101.981 O4 P1 O5 101.981
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 O3 H6 110.641 P1 O4 H7 110.641
P1 O5 H8 110.641

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