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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

mPW1PW91/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7562 -0.5861 -0.3083   0.7772 -0.5572 -0.3098
C2 0.4618 0.0263 0.3344   -0.4674 0.0054 0.3275
F3 -1.9026 0.0834 0.1609   1.8968 0.1330 0.1930
F4 1.5462 -0.7781 0.0043   -1.5233 -0.8211 -0.0383
F5 0.6751 1.2943 -0.1805   -0.7088 1.2787 -0.1611
H6 -0.6643 -0.4841 -1.3918   0.6989 -0.4321 -1.3920
H7 -0.7948 -1.6440 -0.0438   0.8418 -1.6196 -0.0694
H8 0.3580 0.0908 1.4173   -0.3819 0.0472 1.4132
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5072 1.4081 2.3315 2.3666 1.0922 1.0911 2.1628
C2 1.5072 2.3714 1.3900 1.3850 2.1233 2.1242 1.0898
F3 1.4081 2.3714 3.5582 2.8683 2.0655 2.0623 2.5863
F4 2.3315 1.3900 3.5582 2.2556 2.6309 2.4965 2.0405
F5 2.3666 1.3850 2.8683 2.2556 2.5345 3.2883 2.0253
H6 1.0922 2.1233 2.0655 2.6309 2.5345 1.7831 3.0442
H7 1.0911 2.1242 2.0623 2.4965 3.2883 1.7831 2.5443
H8 2.1628 1.0898 2.5863 2.0405 2.0253 3.0442 2.5443
Maximum atom distance is 3.5582Å 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 107.097 C1 C2 F5 109.751
C2 C1 F3 108.819 F4 C2 F5 108.746
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.768 C2 C1 H6 108.484
C2 C1 H7 108.614 F3 C1 H6 110.773
F3 C1 H7 110.578 F4 C2 H8 110.153
F5 C2 H8 109.263 H6 C1 H7 109.516

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