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Geometry for CH2FOH (fluoromethanol) 1A' CS

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

B2PLYP/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0147 0.5108 0.0466   -0.0342 0.5118 0.0155
F2 1.1337 -0.3103 -0.0250   -1.1207 -0.3549 0.0146
O3 -1.1424 -0.2176 -0.1195   1.1481 -0.1802 -0.1266
H4 0.0652 1.0094 1.0148   -0.0893 1.0671 0.9520
H5 0.0722 1.2184 -0.7744   -0.1327 1.1643 -0.8462
H6 -1.2893 -0.7594 0.6603   1.3287 -0.6666 0.6822
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.3898 1.3773 1.0902 1.0853 1.9211
F2 1.3898 2.2799 1.9911 2.0063 2.5578
O3 1.3773 2.2799 2.0616 1.9915 0.9609
H4 1.0902 1.9911 2.0616 1.8014 2.2559
H5 1.0853 2.0063 1.9915 1.8014 2.7971
H6 1.9211 2.5578 0.9609 2.2559 2.7971
Maximum atom distance is 2.7971Å 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 110.960
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 109.200 F2 C1 H4 106.180
F2 C1 H5 107.670 O3 C1 H4 112.824
O3 C1 H5 107.342 H4 C1 H5 111.789

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