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Geometry for CH3NO (nitrosomethane) 1A' CS

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

MP2/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9526 -0.5576 0.0000   -1.0913 -0.1657 0.0000
N2 0.0000 0.5773 0.0000   0.2135 0.5363 0.0000
O3 1.1633 0.2127 0.0000   1.1595 -0.2326 0.0000
H4 -0.4233 -1.5135 0.0000   -0.9530 -1.2497 0.0000
H5 -1.5836 -0.4418 0.8852   -1.6347 0.1752 0.8852
H6 -1.5836 -0.4418 -0.8852   -1.6347 0.1752 -0.8852
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4817 2.2518 1.0927 1.0932 1.0932
N2 1.4817 1.2191 2.1332 2.0808 2.0808
O3 2.2518 1.2191 2.3445 2.9593 2.9593
H4 1.0927 2.1332 2.3445 1.8107 1.8107
H5 1.0932 2.0808 2.9593 1.8107 1.7705
H6 1.0932 2.0808 2.9593 1.8107 1.7705
Maximum atom distance is 2.9593Å 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 112.612
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.011 N2 C1 H5 106.855
N2 C1 H6 106.855 H4 C1 H5 111.857
H4 C1 H6 111.857 H5 C1 H6 108.139

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