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Geometry for CH2NOH (formaldoxime) 1A' CS

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

PBEPBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1456 -0.0321 0.0000   -1.1237 0.2250 0.0000
N2 0.0000 0.5383 0.0000   -0.0908 -0.5306 0.0000
O3 -1.0406 -0.4050 0.0000   1.0940 0.2236 0.0000
H4 1.2729 -1.1233 0.0000   -1.0651 1.3221 0.0000
H5 2.0134 0.6305 0.0000   -2.0909 -0.2817 0.0000
H6 -1.8347 0.1573 0.0000   1.7819 -0.4647 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2797 2.2178 1.0987 1.0918 2.9863
N2 1.2797 1.4045 2.0932 2.0155 1.8739
O3 2.2178 1.4045 2.4225 3.2248 0.9731
H4 1.0987 2.0932 2.4225 1.9038 3.3612
H5 1.0918 2.0155 3.2248 1.9038 3.8771
H6 2.9863 1.8739 0.9731 3.3612 3.8771
Maximum atom distance is 3.8771Å 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 111.338
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 123.127 N2 C1 H5 116.167
N2 O3 H6 102.504 H4 C1 H5 120.706

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