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Geometry for CH2NOH (formaldoxime) 1A' CS

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

BLYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1522 -0.0073 0.0000   -1.1315 0.2174 0.0000
N2 0.0000 0.5477 0.0000   -0.0999 -0.5385 0.0000
O3 -1.0470 -0.4360 0.0000   1.1090 0.2377 0.0000
H4 1.3004 -1.0922 0.0000   -1.0793 1.3111 0.0000
H5 2.0079 0.6664 0.0000   -2.0958 -0.2889 0.0000
H6 -1.8453 0.1245 0.0000   1.7916 -0.4590 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2789 2.2407 1.0949 1.0891 3.0004
N2 1.2789 1.4366 2.0929 2.0114 1.8932
O3 2.2407 1.4366 2.4374 3.2478 0.9754
H4 1.0949 2.0929 2.4374 1.8955 3.3728
H5 1.0891 2.0114 3.2478 1.8955 3.8912
H6 3.0004 1.8932 0.9754 3.3728 3.8912
Maximum atom distance is 3.8912Å 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 111.068
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 123.497 N2 C1 H5 116.069
N2 O3 H6 101.712 H4 C1 H5 120.434

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