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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

HF/SDD


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7801 -0.5450 -0.3570   -0.7600 -0.5540 -0.3855
C2 0.4445 0.0158 0.3268   0.4384 0.0177 0.3349
F3 -1.9148 0.1008 0.1959   -1.9198 0.0477 0.1650
F4 1.5255 -0.8142 0.0252   1.5449 -0.7765 0.0295
F5 0.7543 1.2716 -0.1810   0.7249 1.2945 -0.1326
H6 -0.7607 -0.3459 -1.4146   -0.7278 -0.3249 -1.4368
H7 -0.8695 -1.5994 -0.1598   -0.8260 -1.6154 -0.2191
H8 0.3590 0.0970 1.3943   0.3330 0.0667 1.4025
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5106 1.4178 2.3525 2.3845 1.0764 1.0764 2.1856
C2 1.5106 2.3645 1.3959 1.3895 2.1485 2.1384 1.0740
F3 1.4178 2.3645 3.5640 2.9389 2.0311 2.0273 2.5703
F4 2.3525 1.3959 3.5640 2.2334 2.7421 2.5272 2.0162
F5 2.3845 1.3895 2.9389 2.2334 2.5364 3.2985 2.0044
H6 1.0764 2.1485 2.0311 2.7421 2.5364 1.7770 3.0562
H7 1.0764 2.1384 2.0273 2.5272 3.2985 1.7770 2.6082
H8 2.1856 1.0740 2.5703 2.0162 2.0044 3.0562 2.6082
Maximum atom distance is 3.5640Å 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 108.011 C1 C2 F5 110.540
C2 C1 F3 107.645 F4 C2 F5 106.605
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.424 C2 C1 H6 111.191
C2 C1 H7 110.371 F3 C1 H6 108.261
F3 C1 H7 107.955 F4 C2 H8 108.742
F5 C2 H8 108.224 H6 C1 H7 111.269

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