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Geometry for H2ONH3 (Water Ammonia Dimer) 1A' C1

1910171554
InChI=1S/H5NO/c1-3-2/h2H,1H3 INChIKey=SPYQWCOYCDNQJZ-UHFFFAOYSA-N

PBEPBEultrafine_cp/6-31+G**


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
H1 -0.0588 0.5313 0.0000
O2 0.0395 1.5203 0.0000
N3 0.0395 -1.3452 0.0000
H4 -0.8661 1.8722 0.0000
H5 1.0451 -1.5405 0.0000
H6 -0.3563 -1.8046 0.8250
H7 -0.3563 -1.8046 -0.8250
Atom - Atom Distances (Å)
  H1 O2 N3 H4 H5 H6 H7
H1 0.9939 1.8790 1.5652 2.3475 2.4951 2.4951
O2 0.9939 2.8655 0.9716 3.2217 3.4485 3.4485
N3 1.8790 2.8655 3.3424 1.0244 1.0239 1.0239
H4 1.5652 0.9716 3.3424 3.9114 3.8025 3.8025
H5 2.3475 3.2217 1.0244 3.9114 1.6475 1.6475
H6 2.4951 3.4485 1.0239 3.8025 1.6475 1.6499
H7 2.4951 3.4485 1.0239 3.8025 1.6475 1.6499
Maximum atom distance is 3.9114Å between atoms H4 and H5.
picture of Water Ammonia Dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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