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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

HF/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3276 0.1718 0.0000   -0.0578 0.0000 0.3654
C2 -0.9100 1.0220 0.0000   1.3632 0.0000 -0.1198
H3 1.2370 0.7424 0.0000   -0.1430 0.0000 1.4355
F4 0.3276 -0.6430 1.1118   -0.7115 1.1118 -0.1211
F5 0.3276 -0.6430 -1.1118   -0.7115 -1.1118 -0.1211
H6 -1.7798 0.3796 0.0000   1.3672 0.0000 -1.2011
H7 -0.9301 1.6448 0.8827   1.8748 0.8827 0.2359
H8 -0.9301 1.6448 -0.8827   1.8748 -0.8827 0.2359
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5015 1.0735 1.3784 1.3784 2.1177 2.1285 2.1285
C2 1.5015 2.1651 2.3537 2.3537 1.0814 1.0805 1.0805
H3 1.0735 2.1651 1.9956 1.9956 3.0385 2.5079 2.5079
F4 1.3784 2.3537 1.9956 2.2235 2.5929 2.6208 3.2854
F5 1.3784 2.3537 1.9956 2.2235 2.5929 3.2854 2.6208
H6 2.1177 1.0814 3.0385 2.5929 2.5929 1.7612 1.7612
H7 2.1285 1.0805 2.5079 2.6208 3.2854 1.7612 1.7654
H8 2.1285 1.0805 2.5079 3.2854 2.6208 1.7612 1.7654
Maximum atom distance is 3.2854Å 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 109.557 C2 C1 F5 109.557
F4 C1 F5 107.520
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.067 C1 C2 H7 109.982
C1 C2 H8 109.982 C2 C1 H3 113.406
H3 C1 F4 108.313 H3 C1 F5 108.313
H6 C2 H7 109.111 H6 C2 H8 109.111
H7 C2 H8 109.567

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