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Geometry for CH2FOH (fluoromethanol) 1A' CS

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

PBEPBE/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0110 0.5104 0.0467   -0.0061 0.5124 0.0125
F2 1.1467 -0.3095 -0.0250   1.1562 -0.2714 -0.0287
O3 -1.1518 -0.2215 -0.1217   -1.1454 -0.2680 -0.0823
H4 0.0632 1.0209 1.0240   0.0465 1.0887 0.9525
H5 0.0638 1.2261 -0.7851   0.0058 1.1722 -0.8658
H6 -1.2983 -0.7523 0.6792   -1.2579 -0.7487 0.7549
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.4025 1.3842 1.1038 1.0986 1.9257
F2 1.4025 2.3022 2.0110 2.0269 2.5825
O3 1.3842 2.3022 2.0814 2.0033 0.9719
H4 1.1038 2.0110 2.0814 1.8206 2.2620
H5 1.0986 2.0269 2.0033 1.8206 2.8131
H6 1.9257 2.5825 0.9719 2.2620 2.8131
Maximum atom distance is 2.8131Å 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 111.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 108.366 F2 C1 H4 106.100
F2 C1 H5 107.649 O3 C1 H4 113.077
O3 C1 H5 107.022 H4 C1 H5 111.513

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