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Geometry for CH2FOH (fluoromethanol) 1A' CS

1910171554
InChI=1S/CH3FO/c1-3-2/h1H3 INChIKey=XMSZANIMCDLNKA-UHFFFAOYSA-N

CCSD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0179 0.5127 0.0485   -0.0378 0.5137 0.0177
F2 1.1261 -0.3118 -0.0285   -1.1129 -0.3569 0.0111
O3 -1.1433 -0.2133 -0.1161   1.1489 -0.1749 -0.1239
H4 0.0719 1.0070 1.0214   -0.0962 1.0640 0.9597
H5 0.0731 1.2276 -0.7688   -0.1348 1.1744 -0.8403
H6 -1.2412 -0.7988 0.6409   1.2825 -0.7087 0.6653
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.3834 1.3793 1.0925 1.0873 1.9122
F2 1.3834 2.2732 1.9881 2.0066 2.5079
O3 1.3793 2.2732 2.0639 1.9955 0.9620
H4 1.0925 1.9881 2.0639 1.8037 2.2649
H5 1.0873 2.0066 1.9955 1.8037 2.7966
H6 1.9122 2.5079 0.9620 2.2649 2.7966
Maximum atom distance is 2.7966Å between atoms H5 and H6.
picture of fluoromethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 O3 110.732
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 108.191 F2 C1 H4 106.235
F2 C1 H5 108.020 O3 C1 H4 112.705
O3 C1 H5 107.405 H4 C1 H5 111.682

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