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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

B3LYPultrafine/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2682 0.7031 0.5103   0.6747 0.5103 0.3333
C2 -0.2682 -0.7031 0.5103   -0.6747 0.5103 -0.3333
F3 -0.2682 1.4330 -0.5452   1.4519 -0.5452 -0.1319
F4 0.2682 -1.4330 -0.5452   -1.4519 -0.5452 0.1319
H5 -0.0053 1.2067 1.4441   1.2018 1.4441 0.1085
H6 1.3562 0.6978 0.4009   0.5669 0.4009 1.4160
H7 0.0053 -1.2067 1.4441   -1.2018 1.4441 -0.1085
H8 -1.3562 -0.6978 0.4009   -0.5669 0.4009 -1.4160
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5051 1.3909 2.3827 1.0955 1.0935 2.1421 2.1479
C2 1.5051 2.3827 1.3909 2.1421 2.1479 1.0955 1.0935
F3 1.3909 2.3827 2.9157 2.0193 2.0185 3.3166 2.5728
F4 2.3827 1.3909 2.9157 3.3166 2.5728 2.0193 2.0185
H5 1.0955 2.1421 2.0193 3.3166 1.7890 2.4134 2.5574
H6 1.0935 2.1479 2.0185 2.5728 1.7890 2.5574 3.0504
H7 2.1421 1.0955 3.3166 2.0193 2.4134 2.5574 1.7890
H8 2.1479 1.0935 2.5728 2.0185 2.5574 3.0504 1.7890
Maximum atom distance is 3.3166Å 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 110.659 C2 C1 F3 110.659
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.906 C1 C2 H8 110.492
C2 C1 H5 109.906 C2 C1 H6 110.492
F3 C1 H5 108.020 F3 C1 H6 108.081
F4 C2 H7 108.020 F4 C2 H8 108.081
H5 C1 H6 109.625 H7 C2 H8 109.625

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