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Geometry for CH3BH2 (methylborane) 1A' CS

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

CCD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0157 -0.6876 0.0000   0.0000 -0.0157 -0.6876
B2 -0.0157 0.8771 0.0000   0.0000 -0.0157 0.8771
H3 1.0474 -0.9712 0.0000   -0.0019 1.0474 -0.9712
H4 -0.4537 -1.1348 0.8921   0.8930 -0.4521 -1.1348
H5 -0.4537 -1.1348 -0.8921   -0.8913 -0.4554 -1.1348
H6 0.0162 1.4904 -1.0208   -1.0208 0.0143 1.4904
H7 0.0162 1.4904 1.0208   1.0208 0.0181 1.4904
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5647 1.1003 1.0898 1.0898 2.4055 2.4055
B2 1.5647 2.1322 2.2440 2.2440 1.1913 1.1913
H3 1.1003 2.1322 1.7539 1.7539 2.8574 2.8574
H4 1.0898 2.2440 1.7539 1.7842 3.2820 2.6700
H5 1.0898 2.2440 1.7539 1.7842 2.6700 3.2820
H6 2.4055 1.1913 2.8574 3.2820 2.6700 2.0416
H7 2.4055 1.1913 2.8574 2.6700 3.2820 2.0416
Maximum atom distance is 3.2820Å 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 120.984 C1 B2 H7 120.984
B2 C1 H3 104.935 B2 C1 H4 114.224
B2 C1 H5 114.224 H3 C1 H4 106.416
H3 C1 H5 106.416 H4 C1 H5 109.888
H6 B2 H7 117.938

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