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Geometry for CH2FOH (fluoromethanol) 1A' CS

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

B3LYP/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0012 0.5372 0.0499   -0.0196 0.5389 0.0168
F2 1.1784 -0.3161 -0.0274   -1.1650 -0.3631 0.0120
O3 -1.1750 -0.2233 -0.1140   1.1812 -0.1837 -0.1200
H4 0.0694 1.0323 1.0273   -0.0959 1.0906 0.9630
H5 0.0470 1.2335 -0.7875   -0.1079 1.1795 -0.8609
H6 -1.3147 -0.8581 0.6197   1.3569 -0.7658 0.6489
Atom - Atom Distances (Å)
  C1 F2 O3 H4 H5 H6
C1 1.4579 1.4082 1.0979 1.0901 1.9992
F2 1.4579 2.3568 2.0398 2.0637 2.6321
O3 1.4082 2.3568 2.1042 2.0172 0.9802
H4 1.0979 2.0398 2.1042 1.8261 2.3781
H5 1.0901 2.0637 2.0172 1.8261 2.8651
H6 1.9992 2.6321 0.9802 2.3781 2.8651
Maximum atom distance is 2.8651Å 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 110.621
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 H6 112.418 F2 C1 H4 105.019
F2 C1 H5 107.296 O3 C1 H4 113.625
O3 C1 H5 106.999 H4 C1 H5 113.140

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