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Geometry for CH3BH2 (methylborane) 1A' CS

1910171554
InChI=1S/CH5B/c1-2/h2H2,1H3 INChIKey=PLFLRQISROSEIJ-UHFFFAOYSA-N

B2PLYP=FULLultrafine/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -0.0166 -0.6851 0.0000
B2 -0.0166 0.8751 0.0000
H3 1.0504 -0.9679 0.0000
H4 -0.4491 -1.1398 0.8945
H5 -0.4491 -1.1398 -0.8945
H6 0.0152 1.4912 -1.0248
H7 0.0152 1.4912 1.0248
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5602 1.1038 1.0927 1.0927 2.4057 2.4057
B2 1.5602 2.1296 2.2466 2.2466 1.1961 1.1961
H3 1.1038 2.1296 1.7545 1.7545 2.8581 2.8581
H4 1.0927 2.2466 1.7545 1.7890 3.2896 2.6749
H5 1.0927 2.2466 1.7545 1.7890 2.6749 3.2896
H6 2.4057 1.1961 2.8581 3.2896 2.6749 2.0496
H7 2.4057 1.1961 2.8581 2.6749 3.2896 2.0496
Maximum atom distance is 3.2896Å between atoms H4 and H6.
picture of methylborane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 B2 H6 121.000 C1 B2 H7 121.000
B2 C1 H3 104.847 B2 C1 H4 114.593
B2 C1 H5 114.593 H3 C1 H4 106.022
H3 C1 H5 106.022 H4 C1 H5 109.889
H6 B2 H7 117.909

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