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Geometry for CF3OH (trifluoromethanol) 1A' CS

1910171554
InChI=1S/CHF3O/c2-1(3,4)5/h5H INChIKey=WZCZNEGTXVXAAS-UHFFFAOYSA-N

HF/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0048 0.0224 0.0000   0.0168 0.0156 0.0000
O2 -1.0430 0.8636 0.0000   1.2752 -0.4555 0.0000
F3 1.1263 0.7321 0.0000   0.0541 1.3422 0.0000
F4 0.0048 -0.7813 1.0779   -0.6742 -0.3950 1.0779
F5 0.0048 -0.7813 -1.0779   -0.6742 -0.3950 -1.0779
H6 -1.9078 0.4321 0.0000   1.3460 -1.4195 0.0000
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 H6
C1 1.3437 1.3272 1.3446 1.3446 1.9560
O2 1.3437 2.1733 2.2283 2.2283 0.9665
F3 1.3272 2.1733 2.1703 2.1703 3.0489
F4 1.3446 2.2283 2.1703 2.1558 2.5085
F5 1.3446 2.2283 2.1703 2.1558 2.5085
H6 1.9560 0.9665 3.0489 2.5085 2.5085
Maximum atom distance is 3.0489Å between atoms F3 and H6.
picture of trifluoromethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 F3 108.918 O2 C1 F4 111.976
O2 C1 F5 111.976 F3 C1 F4 108.641
F3 C1 F5 108.641 F4 C1 F5 106.577
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 114.727

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