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Geometry for CH2NOH (formaldoxime) 1A' CS

1910171554
InChI=1S/CH3NO/c1-2-3/h3H,1H2 INChIKey=SQDFHQJTAWCFIB-UHFFFAOYSA-N

PBE1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1345 -0.0410 0.0000   1.1143 -0.2171 0.0000
N2 0.0000 0.5308 0.0000   0.0826 0.5243 0.0000
O3 -1.0309 -0.3902 0.0000   -1.0790 -0.2250 0.0000
H4 1.2524 -1.1255 0.0000   1.0621 -1.3066 0.0000
H5 2.0054 0.6062 0.0000   2.0753 0.2868 0.0000
H6 -1.8180 0.1711 0.0000   -1.7693 0.4518 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2705 2.1934 1.0908 1.0851 2.9601
N2 1.2705 1.3823 2.0765 2.0068 1.8533
O3 2.1934 1.3823 2.3988 3.1956 0.9667
H4 1.0908 2.0765 2.3988 1.8883 3.3330
H5 1.0851 2.0068 3.1956 1.8883 3.8481
H6 2.9601 1.8533 0.9667 3.3330 3.8481
Maximum atom distance is 3.8481Å between atoms H5 and H6.
picture of formaldoxime
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 111.473
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 122.956 N2 C1 H5 116.630
N2 O3 H6 102.734 H4 C1 H5 120.414

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