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Geometry for CH3BH2 (methylborane) 1A' CS

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

MP2/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0139 -0.7039 0.0000   -0.7039 0.0000 -0.0126
B2 -0.0139 0.8971 0.0000   0.8970 0.0000 -0.0155
H3 1.0638 -1.0097 0.0000   -1.0078 0.0000 1.0656
H4 -0.4702 -1.1498 0.9079   -1.1507 0.9079 -0.4681
H5 -0.4702 -1.1498 -0.9079   -1.1507 -0.9079 -0.4681
H6 0.0146 1.5237 -1.0425   1.5238 -1.0425 0.0118
H7 0.0146 1.5237 1.0425   1.5238 1.0425 0.0118
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.6009 1.1202 1.1097 1.1097 2.4596 2.4596
B2 1.6009 2.1902 2.2853 2.2853 1.2167 1.2167
H3 1.1202 2.1902 1.7881 1.7881 2.9336 2.9336
H4 1.1097 2.2853 1.7881 1.8159 3.3447 2.7205
H5 1.1097 2.2853 1.7881 1.8159 2.7205 3.3447
H6 2.4596 1.2167 2.9336 3.3447 2.7205 2.0849
H7 2.4596 1.2167 2.9336 2.7205 3.3447 2.0849
Maximum atom distance is 3.3447Å 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 121.003 C1 B2 H7 121.003
B2 C1 H3 105.844 B2 C1 H4 113.694
B2 C1 H5 113.694 H3 C1 H4 106.613
H3 C1 H5 106.613 H4 C1 H5 109.804
H6 B2 H7 117.924

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