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Geometry for CH3ONO (Methyl nitrite) 1A' CS cis

1910171554
InChI=1S/CH3NO2/c1-4-2-3/h1H3 INChIKey=BLLFVUPNHCTMSV-UHFFFAOYSA-N

LSDA/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2952 0.3114 0.0000   -1.2345 0.5005 0.0000
O2 0.0000 0.9669 0.0000   -0.5627 -0.7863 0.0000
H3 2.0286 1.1287 0.0000   -2.3065 0.2627 0.0000
H4 1.4162 -0.3343 0.8892   -0.9572 1.0960 0.8892
H5 1.4162 -0.3343 -0.8892   -0.9572 1.0960 -0.8892
N6 -1.0847 -0.0616 0.0000   0.9179 -0.5811 0.0000
O7 -0.6299 -1.2040 0.0000   1.2130 0.6126 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 N6 O7
C1 1.4516 1.0981 1.1055 1.1055 2.4089 2.4500
O2 1.4516 2.0350 2.1188 2.1188 1.4947 2.2604
H3 1.0981 2.0350 1.8182 1.8182 3.3330 3.5369
H4 1.1055 2.1188 1.8182 1.7783 2.6682 2.3945
H5 1.1055 2.1188 1.8182 1.7783 2.6682 2.3945
N6 2.4089 1.4947 3.3330 2.6682 2.6682 1.2296
O7 2.4500 2.2604 3.5369 2.3945 2.3945 1.2296
Maximum atom distance is 3.5369Å between atoms H3 and O7.
picture of Methyl nitrite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 N6 109.680 O2 N6 O7 111.773
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H3 105.060 O2 C1 H4 111.187
O2 C1 H5 111.187 H3 C1 H4 111.196
H3 C1 H5 111.196 H4 C1 H5 107.087

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