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Geometry for CH3NO (nitrosomethane) 1A' CS

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

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0105 -0.5637 0.0000   1.1466 0.1550 0.0000
N2 0.0000 0.6463 0.0000   -0.2364 -0.6015 0.0000
O3 1.2289 0.1679 0.0000   -1.2052 0.2932 0.0000
H4 -0.4769 -1.5329 0.0000   1.0045 1.2523 0.0000
H5 -1.6456 -0.4765 0.9001   1.7059 -0.1585 0.9001
H6 -1.6456 -0.4765 -0.9001   1.7059 -0.1585 -0.9001
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.5764 2.3558 1.1064 1.1051 1.1051
N2 1.5764 1.3187 2.2308 2.1861 2.1861
O3 2.3558 1.3187 2.4089 3.0803 3.0803
H4 1.1064 2.2308 2.4089 1.8145 1.8145
H5 1.1051 2.1861 3.0803 1.8145 1.8003
H6 1.1051 2.1861 3.0803 1.8145 1.8003
Maximum atom distance is 3.0803Å 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 108.596
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.302 N2 C1 H5 107.931
N2 C1 H6 107.931 H4 C1 H5 110.260
H4 C1 H6 110.260 H5 C1 H6 109.078

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