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Geometry for HOCHNH (hydroxymethylimine) 1A' CS OH down

1910171554
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) INChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N

MP2/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4502 0.0000   0.0700 0.4447 0.0000
O2 -1.1558 -0.3388 0.0000   -1.1945 -0.1548 0.0000
N3 1.1933 -0.1322 0.0000   1.1582 -0.3162 0.0000
H4 -0.2480 1.5326 0.0000   -0.0065 1.5525 0.0000
H5 -0.7530 -1.2734 0.0000   -0.9419 -1.1408 0.0000
H6 1.8948 0.6755 0.0000   1.9768 0.3724 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 H4 H5 H6
C1 1.3994 1.3278 1.1105 1.8809 1.9082
O2 1.3994 2.3582 2.0800 1.0178 3.2148
N3 1.3278 2.3582 2.2020 2.2562 1.0698
H4 1.1105 2.0800 2.2020 2.8511 2.3079
H5 1.8809 1.0178 2.2562 2.8511 3.2877
H6 1.9082 3.2148 1.0698 2.3079 3.2877
Maximum atom distance is 3.2877Å between atoms H5 and H6.
picture of hydroxymethylimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 N3 119.670
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 100.999 C1 N3 H6 104.966
O2 C1 H4 111.410 N3 C1 H4 128.920

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