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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

HF_cp/3-21G


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
H1 -0.0322 0.5557 0.0000
O2 -0.0395 1.5344 0.0000
N3 -0.0395 -1.3779 0.0000
H4 0.8783 1.8364 0.0000
H5 0.8652 -1.8155 0.0000
H6 -0.5593 -1.6032 0.8304
H7 -0.5593 -1.6032 -0.8304
Atom - Atom Distances (Å)
  H1 O2 N3 H4 H5 H6 H7
H1 0.9787 1.9336 1.5713 2.5354 2.3724 2.3724
O2 0.9787 2.9122 0.9662 3.4699 3.2869 3.2869
N3 1.9336 2.9122 3.3427 1.0051 1.0052 1.0052
H4 1.5713 0.9662 3.3427 3.6520 3.8193 3.8193
H5 2.5354 3.4699 1.0051 3.6520 1.6625 1.6625
H6 2.3724 3.2869 1.0052 3.8193 1.6625 1.6607
H7 2.3724 3.2869 1.0052 3.8193 1.6625 1.6607
Maximum atom distance is 3.8193Å between atoms H4 and H6.
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.