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Geometry for CHF2CH2F (Ethane, 1,1,2-trifluoro) 1A C1

1910171554
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 INChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N

CCSD=FULL/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7692 -0.5856 -0.2856   0.7899 -0.5567 -0.2869
C2 0.4629 0.0191 0.3268   -0.4682 -0.0017 0.3199
F3 -1.8690 0.1099 0.1520   1.8626 0.1591 0.1840
F4 1.5219 -0.7558 -0.0057   -1.4993 -0.7982 -0.0473
F5 0.6800 1.2499 -0.1810   -0.7127 1.2341 -0.1626
H6 -0.7067 -0.5145 -1.3686   0.7417 -0.4618 -1.3689
H7 -0.8573 -1.6235 0.0245   0.9030 -1.5987 0.0002
H8 0.4058 0.1006 1.4088   -0.4297 0.0557 1.4042
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5030 1.3729 2.3144 2.3410 1.0872 1.0868 2.1731
C2 1.5030 2.3403 1.3537 1.3490 2.1277 2.1290 1.0866
F3 1.3729 2.3403 3.5032 2.8121 2.0133 2.0111 2.5989
F4 2.3144 1.3537 3.5032 2.1822 2.6234 2.5326 1.9950
F5 2.3410 1.3490 2.8121 2.1822 2.5390 3.2652 1.9809
H6 1.0872 2.1277 2.0133 2.6234 2.5390 1.7869 3.0545
H7 1.0868 2.1290 2.0111 2.5326 3.2652 1.7869 2.5464
H8 2.1731 1.0866 2.5989 1.9950 1.9809 3.0545 2.5464
Maximum atom distance is 3.5032Å between atoms F3 and F4.
picture of Ethane, 1,1,2-trifluoro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.111 C1 C2 F5 110.220
C2 C1 F3 108.846 F4 C2 F5 107.692
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.128 C2 C1 H6 109.418
C2 C1 H7 109.543 F3 C1 H6 109.298
F3 C1 H7 109.144 F4 C2 H8 109.189
F5 C2 H8 108.360 H6 C1 H7 110.565

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