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Geometry for CH3NO (nitrosomethane) 1A' CS

1910171554
InChI=1S/CH3NO/c1-2-3/h1H3 INChIKey=IMHRONYAKYWGCC-UHFFFAOYSA-N

CCD/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9411 -0.5700 0.0000   1.0885 0.1610 0.0000
N2 0.0000 0.5694 0.0000   -0.2206 -0.5250 0.0000
O3 1.1502 0.2348 0.0000   -1.1514 0.2291 0.0000
H4 -0.4084 -1.5197 0.0000   0.9652 1.2429 0.0000
H5 -1.5733 -0.4622 0.8816   1.6295 -0.1833 0.8816
H6 -1.5733 -0.4622 -0.8816   1.6295 -0.1833 -0.8816
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4779 2.2409 1.0889 1.0901 1.0901
N2 1.4779 1.1979 2.1287 2.0776 2.0776
O3 2.2409 1.1979 2.3468 2.9462 2.9462
H4 1.0889 2.1287 2.3468 1.8035 1.8035
H5 1.0901 2.0776 2.9462 1.8035 1.7631
H6 1.0901 2.0776 2.9462 1.8035 1.7631
Maximum atom distance is 2.9462Å between atoms O3 and H5.
picture of nitrosomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 113.333
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.156 N2 C1 H5 107.036
N2 C1 H6 107.036 H4 C1 H5 111.716
H4 C1 H6 111.716 H5 C1 H6 107.932

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