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Geometry for CH3CHF2 (Ethane, 1,1-difluoro-) 1A' CS

1910171554
InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3 INChIKey=NPNPZTNLOVBDOC-UHFFFAOYSA-N

QCISD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3261 0.1687 0.0000   -0.0586 0.0000 0.3624
C2 -0.9088 1.0265 0.0000   1.3658 0.0000 -0.1192
H3 1.2604 0.7321 0.0000   -0.1620 0.0000 1.4485
F4 0.3261 -0.6441 1.1052   -0.7117 1.1052 -0.1214
F5 0.3261 -0.6441 -1.1052   -0.7117 -1.1052 -0.1214
H6 -1.7844 0.3797 0.0000   1.3673 0.0000 -1.2078
H7 -0.9248 1.6557 0.8882   1.8809 0.8882 0.2425
H8 -0.9248 1.6557 -0.8882   1.8809 -0.8882 0.2425
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5036 1.0910 1.3719 1.3719 2.1210 2.1365 2.1365
C2 1.5036 2.1891 2.3532 2.3532 1.0886 1.0886 1.0886
H3 1.0910 2.1891 1.9971 1.9971 3.0651 2.5331 2.5331
F4 1.3719 2.3532 1.9971 2.2104 2.5931 2.6270 3.2905
F5 1.3719 2.3532 1.9971 2.2104 2.5931 3.2905 2.6270
H6 2.1210 1.0886 3.0651 2.5931 2.5931 1.7765 1.7765
H7 2.1365 1.0886 2.5331 2.6270 3.2905 1.7765 1.7763
H8 2.1365 1.0886 2.5331 3.2905 2.6270 1.7765 1.7763
Maximum atom distance is 3.2905Å between atoms F4 and H8.
picture of Ethane, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F4 109.755 C2 C1 F5 109.755
F4 C1 F5 107.335
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.764 C1 C2 H7 109.986
C1 C2 H8 109.986 C2 C1 H3 114.124
H3 C1 F4 107.816 H3 C1 F5 107.816
H6 C2 H7 109.366 H6 C2 H8 109.366
H7 C2 H8 109.356

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