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Geometry for C2H4F2 (1,2-difluoroethane) 1A C2 gauche

1910171554
InChI=1S/C2H4F2/c3-1-2-4/h1-2H2 INChIKey=AHFMSNDOYCFEPH-UHFFFAOYSA-N

BLYP/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2820 0.7105 0.5201   0.4927 -0.3276 0.7105
C2 -0.2820 -0.7105 0.5201   0.5433 0.2341 -0.7105
F3 -0.2820 1.4664 -0.5576   -0.5300 0.3309 1.4664
F4 0.2820 -1.4664 -0.5576   -0.5807 -0.2307 -1.4664
H5 0.0380 1.1904 1.4861   1.4767 -0.1714 1.1904
H6 1.3793 0.6566 0.4120   0.2864 -1.4107 0.6566
H7 -0.0380 -1.1904 1.4861   1.4835 -0.0957 -1.1904
H8 -1.3793 -0.6566 0.4120   0.5343 1.3367 -0.6566
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5288 1.4321 2.4290 1.1059 1.1039 2.1562 2.1542
C2 1.5288 2.4290 1.4321 2.1562 2.1542 1.1059 1.1039
F3 1.4321 2.4290 2.9865 2.0870 2.0870 3.3608 2.5790
F4 2.4290 1.4321 2.9865 3.3608 2.5790 2.0870 2.0870
H5 1.1059 2.1562 2.0870 3.3608 1.7994 2.3821 2.5640
H6 1.1039 2.1542 2.0870 2.5790 1.7994 2.5640 3.0552
H7 2.1562 1.1059 3.3608 2.0870 2.3821 2.5640 1.7994
H8 2.1542 1.1039 2.5790 2.0870 2.5640 3.0552 1.7994
Maximum atom distance is 3.3608Å between atoms F3 and H7.
picture of 1,2-difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 110.204 C2 C1 F3 110.204
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.785 C1 C2 H8 108.743
C2 C1 H5 108.785 C2 C1 H6 108.743
F3 C1 H5 109.964 F3 C1 H6 110.087
F4 C2 H7 109.964 F4 C2 H8 110.087
H5 C1 H6 109.025 H7 C2 H8 109.025

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