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Geometry for CF3OH (trifluoromethanol) 1A' CS

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

SVWN/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0038 0.0232 0.0000   0.0234 -0.0029 0.0000
O2 -1.0356 0.8706 0.0000   0.5445 -1.2386 0.0000
F3 1.1174 0.7336 0.0000   1.0181 0.8662 0.0000
F4 0.0038 -0.7807 1.0745   -0.7482 0.2231 1.0745
F5 0.0038 -0.7807 -1.0745   -0.7482 0.2231 -1.0745
H6 -1.8624 0.3459 0.0000   -0.1915 -1.8845 0.0000
Atom - Atom Distances (Å)
  C1 O2 F3 F4 F5 H6
C1 1.3410 1.3209 1.3420 1.3420 1.8938
O2 1.3410 2.1574 2.2275 2.2275 0.9792
F3 1.3209 2.1574 2.1652 2.1652 3.0049
F4 1.3420 2.2275 2.1652 2.1491 2.4303
F5 1.3420 2.2275 2.1652 2.1491 2.4303
H6 1.8938 0.9792 3.0049 2.4303 2.4303
Maximum atom distance is 3.0049Å 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 108.278 O2 C1 F4 112.244
O2 C1 F5 112.244 F3 C1 F4 108.794
F3 C1 F5 108.794 F4 C1 F5 106.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H6 108.406

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