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Geometry for CH3NO (nitrosomethane) 1A' CS

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

MP4=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9639 -0.5541 0.0000   1.1041 0.1309 0.0000
N2 0.0000 0.5847 0.0000   -0.2297 -0.5377 0.0000
O3 1.1764 0.2026 0.0000   -1.1614 0.2759 0.0000
H4 -0.4342 -1.5130 0.0000   0.9937 1.2208 0.0000
H5 -1.5967 -0.4378 0.8886   1.6403 -0.2247 0.8886
H6 -1.5967 -0.4378 -0.8886   1.6403 -0.2247 -0.8886
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4920 2.2701 1.0954 1.0971 1.0971
N2 1.4920 1.2369 2.1421 2.0939 2.0939
O3 2.2701 1.2369 2.3531 2.9816 2.9816
H4 1.0954 2.1421 2.3531 1.8158 1.8158
H5 1.0971 2.0939 2.9816 1.8158 1.7772
H6 1.0971 2.0939 2.9816 1.8158 1.7772
Maximum atom distance is 2.9816Å 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 112.249
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 110.838 N2 C1 H5 106.959
N2 C1 H6 106.959 H4 C1 H5 111.826
H4 C1 H6 111.826 H5 C1 H6 108.180

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