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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

LSDA/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4202 0.0000   0.0659 0.4150 0.0000
O2 -1.1122 -0.3201 0.0000   -1.1487 -0.1416 0.0000
N3 1.1507 -0.1139 0.0000   1.1186 -0.2930 0.0000
H4 -0.2470 1.5007 0.0000   -0.0085 1.5209 0.0000
H5 -0.8069 -1.2568 0.0000   -0.9941 -1.1147 0.0000
H6 1.8968 0.5928 0.0000   1.9663 0.2878 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 H4 H5 H6
C1 1.3361 1.2686 1.1084 1.8611 1.9047
O2 1.3361 2.2722 2.0159 0.9852 3.1444
N3 1.2686 2.2722 2.1355 2.2668 1.0277
H4 1.1084 2.0159 2.1355 2.8138 2.3281
H5 1.8611 0.9852 2.2668 2.8138 3.2758
H6 1.9047 3.1444 1.0277 2.3281 3.2758
Maximum atom distance is 3.2758Å 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 121.452
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 105.597 C1 N3 H6 111.656
O2 C1 H4 110.774 N3 C1 H4 127.774

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