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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

MP2_cp/aug-cc-pVTZ


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
H1 -0.0766 0.5791 0.0000
O2 0.0381 1.5474 0.0000
N3 0.0381 -1.3751 0.0000
H4 -0.8554 1.8993 0.0000
H5 1.0371 -1.5420 0.0000
H6 -0.3381 -1.8450 0.8141
H7 -0.3381 -1.8450 -0.8141
Atom - Atom Distances (Å)
  H1 O2 N3 H4 H5 H6 H7
H1 0.9750 1.9575 1.5328 2.3957 2.5705 2.5705
O2 0.9750 2.9224 0.9603 3.2469 3.5089 3.5089
N3 1.9575 2.9224 3.3940 1.0129 1.0124 1.0124
H4 1.5328 0.9603 3.3940 3.9273 3.8665 3.8665
H5 2.3957 3.2469 1.0129 3.9273 1.6265 1.6265
H6 2.5705 3.5089 1.0124 3.8665 1.6265 1.6281
H7 2.5705 3.5089 1.0124 3.8665 1.6265 1.6281
Maximum atom distance is 3.9273Å 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.