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Geometry for CH3NO (nitrosomethane) 1A' CS

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

G3
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9604 -0.5440 0.0000   -1.0977 -0.1158 0.0000
N2 0.0000 0.5807 0.0000   0.2317 0.5325 0.0000
O3 1.1732 0.1941 0.0000   1.1533 -0.2900 0.0000
H4 -0.4400 -1.5041 0.0000   -1.0035 -1.2037 0.0000
H5 -1.5916 -0.4251 0.8846   -1.6291 0.2451 0.8846
H6 -1.5916 -0.4251 -0.8846   -1.6291 0.2451 -0.8846
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4790 2.2576 1.0920 1.0933 1.0933
N2 1.4790 1.2353 2.1308 2.0803 2.0803
O3 2.2576 1.2353 2.3423 2.9682 2.9682
H4 1.0920 2.1308 2.3423 1.8091 1.8091
H5 1.0933 2.0803 2.9682 1.8091 1.7693
H6 1.0933 2.0803 2.9682 1.8091 1.7693
Maximum atom distance is 2.9682Å 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 113.835
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.235 N2 C1 H5 107.347
N2 C1 H6 107.347 H4 C1 H5 111.408
H4 C1 H6 111.408 H5 C1 H6 107.890

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