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Geometry for CH3NO (nitrosomethane) 1A' CS

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9427 -0.5626 0.0000   -1.0859 -0.1615 0.0000
N2 0.0000 0.5716 0.0000   0.2176 0.5286 0.0000
O3 1.1519 0.2248 0.0000   1.1508 -0.2306 0.0000
H4 -0.4110 -1.5121 0.0000   -0.9556 -1.2418 0.0000
H5 -1.5741 -0.4557 0.8820   -1.6291 0.1778 0.8820
H6 -1.5741 -0.4557 -0.8820   -1.6291 0.1778 -0.8820
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4748 2.2377 1.0882 1.0900 1.0900
N2 1.4748 1.2030 2.1238 2.0763 2.0763
O3 2.2377 1.2030 2.3365 2.9449 2.9449
H4 1.0882 2.1238 2.3365 1.8019 1.8019
H5 1.0900 2.0763 2.9449 1.8019 1.7640
H6 1.0900 2.0763 2.9449 1.8019 1.7640
Maximum atom distance is 2.9449Å 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 112.973
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.021 N2 C1 H5 107.149
N2 C1 H6 107.149 H4 C1 H5 111.633
H4 C1 H6 111.633 H5 C1 H6 108.029

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