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Geometry for CH2BOH (hydroxy(methylene)borane) 1A' CS

1910171554
InChI=1S/CH3BO/c1-2-3/h3H,1H2 INChIKey=CZEUABRGABCIIL-UHFFFAOYSA-N

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Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0392 1.3845 0.0000   -0.0009 0.0392 1.3845
B2 0.0392 0.0026 0.0000   -0.0009 0.0392 0.0026
O3 0.0392 -1.3124 0.0000   -0.0009 0.0392 -1.3124
H4 0.0392 1.9540 0.9186   0.9175 0.0607 1.9540
H5 0.0392 1.9540 -0.9186   -0.9193 0.0176 1.9540
H6 -0.8228 -1.7288 0.0000   0.0193 -0.8226 -1.7288
Atom - Atom Distances (Å)
  C1 B2 O3 H4 H5 H6
C1 1.3819 2.6968 1.0808 1.0808 3.2304
B2 1.3819 1.3149 2.1568 2.1568 1.9341
O3 2.6968 1.3149 3.3931 3.3931 0.9573
H4 1.0808 2.1568 3.3931 1.8373 3.8923
H5 1.0808 2.1568 3.3931 1.8373 3.8923
H6 3.2304 1.9341 0.9573 3.8923 3.8923
Maximum atom distance is 3.8923Å between atoms H4 and H6.
picture of hydroxy(methylene)borane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 B2 O3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B2 C1 H4 121.798 B2 C1 H5 121.798
B2 O3 H6 115.788 H4 C1 H5 116.405

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