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Geometry for CH2NOH (formaldoxime) 1A' CS

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

PBE1PBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1493 0.0045 0.0000   -1.1361 0.1738 0.0000
N2 0.0000 0.5671 0.0000   -0.0880 -0.5602 0.0000
O3 -1.0419 -0.4598 0.0000   1.1006 0.2926 0.0000
H4 1.2841 -1.0740 0.0000   -1.1019 1.2602 0.0000
H5 2.0162 0.6548 0.0000   -2.0933 -0.3341 0.0000
H6 -1.8610 0.1007 0.0000   1.8228 -0.3882 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2796 2.2398 1.0869 1.0837 3.0118
N2 1.2796 1.4629 2.0837 2.0181 1.9185
O3 2.2398 1.4629 2.4057 3.2548 0.9925
H4 1.0869 2.0837 2.4057 1.8774 3.3573
H5 1.0837 2.0181 3.2548 1.8774 3.9165
H6 3.0118 1.9185 0.9925 3.3573 3.9165
Maximum atom distance is 3.9165Å 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 109.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 123.205 N2 C1 H5 117.041
N2 O3 H6 101.031 H4 C1 H5 119.755

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