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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

HF/6-311G**


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1053   0.0000 0.0000 0.1053
O2 0.0000 0.0000 1.5499   0.0000 0.0000 1.5499
O3 0.0000 1.4179 -0.5693   1.3996 -0.2271 -0.5693
O4 1.2279 -0.7089 -0.5693   -0.5031 1.3256 -0.5693
O5 -1.2279 -0.7089 -0.5693   -0.8965 -1.0985 -0.5693
H6 0.4962 2.0722 -0.1051   2.1249 0.1579 -0.1051
H7 1.5465 -1.4658 -0.1051   -1.1992 1.7613 -0.1051
H8 -2.0427 -0.6064 -0.1051   -0.9258 -1.9192 -0.1051
Atom - Atom Distances (Å)
  P1 O2 O3 O4 O5 H6 H7 H8
P1 1.4445 1.5702 1.5702 1.5702 2.1412 2.1412 2.1412
O2 1.4445 2.5498 2.5498 2.5498 2.6980 2.6980 2.6980
O3 1.5702 2.5498 2.4558 2.4558 0.9434 3.3050 2.9130
O4 1.5702 2.5498 2.4558 2.4558 2.9130 0.9434 3.3050
O5 1.5702 2.5498 2.4558 2.4558 3.3050 2.9130 0.9434
H6 2.1412 2.6980 0.9434 2.9130 3.3050 3.6907 3.6907
H7 2.1412 2.6980 3.3050 0.9434 2.9130 3.6907 3.6907
H8 2.1412 2.6980 2.9130 3.3050 0.9434 3.6907 3.6907
Maximum atom distance is 3.6907Å between atoms H7 and H8.
picture of Phosphoric Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 O3 115.446 O2 P1 O4 115.446
O2 P1 O5 115.446 O3 P1 O4 102.890
O3 P1 O5 102.890 O4 P1 O5 102.890
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 O3 H6 114.511 P1 O4 H7 114.511
P1 O5 H8 114.511

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