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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

QCISD/cc-pVTZ


Point group is C3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1134   -0.1114 -0.0210 -0.0000
O2 0.0000 0.0000 1.5795   -1.5522 -0.2920 -0.0000
O3 0.0000 1.4267 -0.5879   0.3139 1.5108 0.0000
O4 1.2356 -0.7134 -0.5879   0.7096 -0.5924 1.2356
O5 -1.2356 -0.7134 -0.5879   0.7096 -0.5924 -1.2356
H6 0.5078 2.0608 -0.0760   -0.3063 2.0393 0.5078
H7 1.5308 -1.4701 -0.0760   0.3465 -1.4307 1.5308
H8 -2.0386 -0.5906 -0.0760   0.1839 -0.5664 -2.0386
Atom - Atom Distances (Å)
  P1 O2 O3 O4 O5 H6 H7 H8
P1 1.4661 1.5898 1.5898 1.5898 2.1308 2.1308 2.1308
O2 1.4661 2.5948 2.5948 2.5948 2.6917 2.6917 2.6917
O3 1.5898 2.5948 2.4712 2.4712 0.9601 3.3162 2.9133
O4 1.5898 2.5948 2.4712 2.4712 2.9133 0.9601 3.3162
O5 1.5898 2.5948 2.4712 2.4712 3.3162 2.9133 0.9601
H6 2.1308 2.6917 0.9601 2.9133 3.3162 3.6761 3.6761
H7 2.1308 2.6917 3.3162 0.9601 2.9133 3.6761 3.6761
H8 2.1308 2.6917 2.9133 3.3162 0.9601 3.6761 3.6761
Maximum atom distance is 3.6761Å 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 116.175 O2 P1 O4 116.175
O2 P1 O5 116.175 O3 P1 O4 102.013
O3 P1 O5 102.013 O4 P1 O5 102.013
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 O3 H6 110.946 P1 O4 H7 110.946
P1 O5 H8 110.946

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