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Geometry for CH3BH2 (methylborane) 1A' CS

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

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0165 -0.6875 0.0000   -0.6875 0.0000 -0.0160
B2 -0.0165 0.8791 0.0000   0.8791 0.0000 -0.0172
H3 1.0622 -0.9853 0.0000   -0.9845 0.0000 1.0629
H4 -0.4532 -1.1450 0.9060   -1.1453 0.9060 -0.4524
H5 -0.4532 -1.1450 -0.9060   -1.1453 -0.9060 -0.4524
H6 0.0131 1.5025 -1.0364   1.5025 -1.0364 0.0120
H7 0.0131 1.5025 1.0364   1.5025 1.0364 0.0120
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5666 1.1191 1.1049 1.1049 2.4230 2.4230
B2 1.5666 2.1540 2.2602 2.2602 1.2098 1.2098
H3 1.1191 2.1540 1.7728 1.7728 2.8920 2.8920
H4 1.1049 2.2602 1.7728 1.8121 3.3166 2.6914
H5 1.1049 2.2602 1.7728 1.8121 2.6914 3.3166
H6 2.4230 1.2098 2.8920 3.3166 2.6914 2.0729
H7 2.4230 1.2098 2.8920 2.6914 3.3166 2.0729
Maximum atom distance is 3.3166Å 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 121.014 C1 B2 H7 121.014
B2 C1 H3 105.431 B2 C1 H4 114.457
B2 C1 H5 114.457 H3 C1 H4 105.713
H3 C1 H5 105.713 H4 C1 H5 110.169
H6 B2 H7 117.894

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