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Geometry for CH2NOH (formaldoxime) 1A' CS

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

BLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1529 -0.0227 0.0000   1.1302 -0.2288 0.0000
N2 0.0000 0.5503 0.0000   0.0986 0.5414 0.0000
O3 -1.0482 -0.4241 0.0000   -1.1072 -0.2295 0.0000
H4 1.2901 -1.1128 0.0000   1.0699 -1.3258 0.0000
H5 2.0227 0.6393 0.0000   2.1045 0.2667 0.0000
H6 -1.8446 0.1503 0.0000   -1.7878 0.4783 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2874 2.2374 1.0987 1.0930 3.0025
N2 1.2874 1.4311 2.1047 2.0246 1.8875
O3 2.2374 1.4311 2.4376 3.2498 0.9819
H4 1.0987 2.1047 2.4376 1.8991 3.3796
H5 1.0930 2.0246 3.2498 1.8991 3.8981
H6 3.0025 1.8875 0.9819 3.3796 3.8981
Maximum atom distance is 3.8981Å 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 110.665
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 123.597 N2 C1 H5 116.299
N2 O3 H6 101.291 H4 C1 H5 120.104

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