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Geometry for CH2NOH (formaldoxime) 1A' CS

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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1202 -0.0290 0.0000   1.1005 -0.2112 0.0000
N2 0.0000 0.5181 0.0000   0.0844 0.5111 0.0000
O3 -1.0177 -0.3871 0.0000   -1.0672 -0.2161 0.0000
H4 1.2390 -1.1018 0.0000   1.0429 -1.2890 0.0000
H5 1.9817 0.6131 0.0000   2.0551 0.2820 0.0000
H6 -1.8000 0.1335 0.0000   -1.7542 0.4250 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2466 2.1677 1.0793 1.0745 2.9247
N2 1.2466 1.3620 2.0394 1.9840 1.8406
O3 2.1677 1.3620 2.3672 3.1618 0.9397
H4 1.0793 2.0394 2.3672 1.8688 3.2805
H5 1.0745 1.9840 3.1618 1.8688 3.8120
H6 2.9247 1.8406 0.9397 3.2805 3.8120
Maximum atom distance is 3.8120Å 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 112.318
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 122.354 N2 C1 H5 117.271
N2 O3 H6 104.705 H4 C1 H5 120.375

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