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Geometry for CH3NO (nitrosomethane) 1A' CS

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

B2PLYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9553 -0.5593 0.0000   -1.0944 -0.1659 0.0000
N2 0.0000 0.5718 0.0000   0.2117 0.5312 0.0000
O3 1.1679 0.2180 0.0000   1.1657 -0.2299 0.0000
H4 -0.4366 -1.5189 0.0000   -0.9679 -1.2493 0.0000
H5 -1.5877 -0.4359 0.8822   -1.6363 0.1828 0.8822
H6 -1.5877 -0.4359 -0.8822   -1.6363 0.1828 -0.8822
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4805 2.2610 1.0908 1.0924 1.0924
N2 1.4805 1.2203 2.1358 2.0771 2.0771
O3 2.2610 1.2203 2.3646 2.9663 2.9663
H4 1.0908 2.1358 2.3646 1.8099 1.8099
H5 1.0924 2.0771 2.9663 1.8099 1.7643
H6 1.0924 2.0771 2.9663 1.8099 1.7643
Maximum atom distance is 2.9663Å 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 113.331
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.426 N2 C1 H5 106.696
N2 C1 H6 106.696 H4 C1 H5 111.998
H4 C1 H6 111.998 H5 C1 H6 107.711

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