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Geometry for CH3BH2 (methylborane) 1A' CS

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

mPW1PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0149 -0.6860 0.0000   0.0000 -0.0149 -0.6860
B2 -0.0149 0.8766 0.0000   0.0000 -0.0149 0.8766
H3 1.0506 -0.9904 0.0000   -0.0010 1.0506 -0.9904
H4 -0.4565 -1.1337 0.8970   0.8974 -0.4556 -1.1337
H5 -0.4565 -1.1337 -0.8970   -0.8965 -0.4573 -1.1337
H6 0.0129 1.4952 -1.0282   -1.0282 0.0119 1.4952
H7 0.0129 1.4952 1.0282   1.0282 0.0138 1.4952
Atom - Atom Distances (Å)
  C1 B2 H3 H4 H5 H6 H7
C1 1.5626 1.1081 1.0954 1.0954 2.4116 2.4116
B2 1.5626 2.1496 2.2452 2.2452 1.2003 1.2003
H3 1.1081 2.1496 1.7597 1.7597 2.8831 2.8831
H4 1.0954 2.2452 1.7597 1.7939 3.2921 2.6737
H5 1.0954 2.2452 1.7597 1.7939 2.6737 3.2921
H6 2.4116 1.2003 2.8831 3.2921 2.6737 2.0564
H7 2.4116 1.2003 2.8831 2.6737 3.2921 2.0564
Maximum atom distance is 3.2921Å 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 121.023 C1 B2 H7 121.023
B2 C1 H3 105.943 B2 C1 H4 114.121
B2 C1 H5 114.121 H3 C1 H4 105.985
H3 C1 H5 105.985 H4 C1 H5 109.934
H6 B2 H7 117.885

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