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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/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3251 0.1838 0.0000   0.1895 0.2641 0.1838
C2 -0.9072 1.0474 0.0000   -0.5288 -0.7371 1.0474
H3 1.2628 0.7096 0.0000   0.7361 1.0261 0.7096
F4 0.3251 -0.6594 1.1180   1.0979 -0.3876 -0.6594
F5 0.3251 -0.6594 -1.1180   -0.7190 0.9158 -0.6594
H6 -1.7902 0.4247 0.0000   -1.0435 -1.4546 0.4247
H7 -0.9155 1.6734 0.8814   0.1825 -1.2577 1.6734
H8 -0.9155 1.6734 -0.8814   -1.2499 -0.2301 1.6734
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5047 1.0751 1.4003 1.4003 2.1290 2.1295 2.1295
C2 1.5047 2.1961 2.3836 2.3836 1.0805 1.0811 1.0811
H3 1.0751 2.1961 2.0009 2.0009 3.0663 2.5399 2.5399
F4 1.4003 2.3836 2.0009 2.2361 2.6267 2.6527 3.3134
F5 1.4003 2.3836 2.0009 2.2361 2.6267 3.3134 2.6527
H6 2.1290 1.0805 3.0663 2.6267 2.6267 1.7610 1.7610
H7 2.1295 1.0811 2.5399 2.6527 3.3134 1.7610 1.7628
H8 2.1295 1.0811 2.5399 3.3134 2.6527 1.7610 1.7628
Maximum atom distance is 3.3134Å 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 110.217 C2 C1 F5 110.217
F4 C1 F5 105.957
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.786 C1 C2 H7 109.795
C1 C2 H8 109.795 C2 C1 H3 115.696
H3 C1 F4 107.126 H3 C1 F5 107.126
H6 C2 H7 109.106 H6 C2 H8 109.106
H7 C2 H8 109.233

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