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Geometry for CH2NOH (formaldoxime) 1A' CS

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

B3PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1665 -0.0550 0.0000   1.1441 -0.2343 0.0000
N2 0.0000 0.5703 0.0000   0.0880 0.5634 0.0000
O3 -1.0607 -0.4143 0.0000   -1.1119 -0.2457 0.0000
H4 1.2882 -1.1499 0.0000   1.0954 -1.3349 0.0000
H5 2.0643 0.5768 0.0000   2.1286 0.2515 0.0000
H6 -1.8664 0.2255 0.0000   -1.8093 0.5107 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.3235 2.2560 1.1017 1.0978 3.0459
N2 1.3235 1.4472 2.1491 2.0643 1.8980
O3 2.2560 1.4472 2.4614 3.2784 1.0289
H4 1.1017 2.1491 2.4614 1.8932 3.4414
H5 1.0978 2.0643 3.2784 1.8932 3.9464
H6 3.0459 1.8980 1.0289 3.4414 3.9464
Maximum atom distance is 3.9464Å 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 108.940
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 124.531 N2 C1 H5 116.671
N2 O3 H6 98.683 H4 C1 H5 118.797

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