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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

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3328 0.1471 0.0000   0.1975 0.2678 0.1471
C2 -0.9293 1.0939 0.0000   -0.5515 -0.7480 1.0939
H3 1.2732 0.7727 0.0000   0.7556 1.0248 0.7727
F4 0.3328 -0.6765 1.1301   1.1070 -0.4028 -0.6765
F5 0.3328 -0.6765 -1.1301   -0.7121 0.9385 -0.6765
H6 -1.8534 0.4926 0.0000   -1.0999 -1.4917 0.4926
H7 -0.9149 1.7332 0.8979   0.1798 -1.2693 1.7332
H8 -0.9149 1.7332 -0.8979   -1.2657 -0.2035 1.7332
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5778 1.1296 1.3984 1.3984 2.2133 2.2088 2.2088
C2 1.5778 2.2259 2.4504 2.4504 1.1025 1.1024 1.1024
H3 1.1296 2.2259 2.0644 2.0644 3.1391 2.5528 2.5528
F4 1.3984 2.4504 2.0644 2.2602 2.7245 2.7235 3.3877
F5 1.3984 2.4504 2.0644 2.2602 2.7245 3.3877 2.7235
H6 2.2133 1.1025 3.1391 2.7245 2.7245 1.7962 1.7962
H7 2.2088 1.1024 2.5528 2.7235 3.3877 1.7962 1.7959
H8 2.2088 1.1024 2.5528 3.3877 2.7235 1.7962 1.7959
Maximum atom distance is 3.3877Å 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 110.698 C2 C1 F5 110.698
F4 C1 F5 107.833
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 110.066 C1 C2 H7 109.729
C1 C2 H8 109.729 C2 C1 H3 109.488
H3 C1 F4 109.039 H3 C1 F5 109.039
H6 C2 H7 109.105 H6 C2 H8 109.105
H7 C2 H8 109.086

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