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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

MP4/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4250 0.0000   0.0723 0.4188 0.0000
O2 -1.1216 -0.3379 0.0000   -1.1627 -0.1421 0.0000
N3 1.1659 -0.0998 0.0000   1.1319 -0.2968 0.0000
H4 -0.2662 1.4875 0.0000   -0.0091 1.5111 0.0000
H5 -0.8059 -1.2664 0.0000   -1.0097 -1.1108 0.0000
H6 1.8832 0.6309 0.0000   1.9631 0.3012 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 H4 H5 H6
C1 1.3565 1.2786 1.0953 1.8736 1.8944
O2 1.3565 2.2998 2.0159 0.9807 3.1571
N3 1.2786 2.2998 2.1379 2.2910 1.0240
H4 1.0953 2.0159 2.1379 2.8063 2.3138
H5 1.8736 0.9807 2.2910 2.8063 3.2911
H6 1.8944 3.1571 1.0240 2.3138 3.2911
Maximum atom distance is 3.2911Å 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 121.539
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 105.449 C1 N3 H6 110.232
O2 C1 H4 110.161 N3 C1 H4 128.301

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