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Geometry for CH2FOH (fluoromethanol) 1A' CS

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

B3LYPultrafine/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0129 0.5109 0.0465   -0.0048 0.5130 0.0130
F2 1.1371 -0.3104 -0.0246   1.1470 -0.2712 -0.0283
O3 -1.1436 -0.2181 -0.1197   -1.1370 -0.2655 -0.0812
H4 0.0648 1.0123 1.0165   0.0469 1.0784 0.9471
H5 0.0718 1.2204 -0.7765   0.0128 1.1686 -0.8554
H6 -1.2996 -0.7603 0.6599   -1.2585 -0.7605 0.7351
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.3941 1.3772 1.0931 1.0882 1.9275
F2 1.3941 2.2846 1.9958 2.0108 2.5708
O3 1.3772 2.2846 2.0652 1.9944 0.9624
H4 1.0931 1.9958 2.0652 1.8050 2.2652
H5 1.0882 2.0108 1.9944 1.8050 2.8048
H6 1.9275 2.5708 0.9624 2.2652 2.8048
Maximum atom distance is 2.8048Å 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 111.052
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 109.668 F2 C1 H4 106.096
F2 C1 H5 107.569 O3 C1 H4 112.938
O3 C1 H5 107.412 H4 C1 H5 111.687

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