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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

wB97X-D/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3263 0.1894 0.0000   -0.0366 0.0000 0.3755
C2 -0.9109 1.0516 0.0000   1.3855 0.0000 -0.1263
H3 1.2785 0.7238 0.0000   -0.1581 0.0000 1.4607
F4 0.3263 -0.6643 1.1356   -0.7299 1.1356 -0.1226
F5 0.3263 -0.6643 -1.1356   -0.7299 -1.1356 -0.1226
H6 -1.8011 0.4192 0.0000   1.3913 0.0000 -1.2183
H7 -0.9220 1.6844 0.8904   1.9060 0.8904 0.2339
H8 -0.9220 1.6844 -0.8904   1.9060 -0.8904 0.2339
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5080 1.0919 1.4207 1.4207 2.1398 2.1416 2.1416
C2 1.5080 2.2138 2.4009 2.4009 1.0920 1.0925 1.0925
H3 1.0919 2.2138 2.0306 2.0306 3.0947 2.5608 2.5608
F4 1.4207 2.4009 2.0306 2.2711 2.6438 2.6712 3.3436
F5 1.4207 2.4009 2.0306 2.2711 2.6438 3.3436 2.6712
H6 2.1398 1.0920 3.0947 2.6438 2.6438 1.7795 1.7795
H7 2.1416 1.0925 2.5608 2.6712 3.3436 1.7795 1.7809
H8 2.1416 1.0925 2.5608 3.3436 2.6712 1.7795 1.7809
Maximum atom distance is 3.3436Å 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 110.095 C2 C1 F5 110.095
F4 C1 F5 106.128
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.740 C1 C2 H7 109.850
C1 C2 H8 109.850 C2 C1 H3 115.825
H3 C1 F4 107.104 H3 C1 F5 107.104
H6 C2 H7 109.097 H6 C2 H8 109.097
H7 C2 H8 109.185

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