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Geometry for CH2FOH (fluoromethanol) 1A' CS

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

B3LYP/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0209 0.5170 0.0513   0.0028 0.5197 0.0176
F2 1.1647 -0.3133 -0.0308   1.1747 -0.2732 -0.0317
O3 -1.1803 -0.2126 -0.1143   -1.1734 -0.2612 -0.0791
H4 0.0726 1.0406 1.0156   0.0505 1.1062 0.9451
H5 0.0347 1.2363 -0.7685   -0.0226 1.1843 -0.8469
H6 -1.2724 -0.8592 0.6369   -1.2300 -0.8606 0.7138
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.4158 1.4152 1.0985 1.0907 1.9773
F2 1.4158 2.3487 2.0299 2.0548 2.5852
O3 1.4152 2.3487 2.1016 2.0008 0.9955
H4 1.0985 2.0299 2.1016 1.7952 2.3583
H5 1.0907 2.0548 2.0008 1.7952 2.8416
H6 1.9773 2.5852 0.9955 2.3583 2.8416
Maximum atom distance is 2.8416Å 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 112.124
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 108.967 F2 C1 H4 107.004
F2 C1 H5 109.447 O3 C1 H4 112.856
O3 C1 H5 105.231 H4 C1 H5 110.176

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