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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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3307 0.1748 0.0000   -0.0583 0.0000 0.3695
C2 -0.9180 1.0225 0.0000   1.3687 0.0000 -0.1217
H3 1.2482 0.7697 0.0000   -0.1322 0.0000 1.4605
F4 0.3307 -0.6456 1.1330   -0.7150 1.1330 -0.1223
F5 0.3307 -0.6456 -1.1330   -0.7150 -1.1330 -0.1223
H6 -1.7898 0.3637 0.0000   1.3640 0.0000 -1.2145
H7 -0.9441 1.6516 0.8919   1.8879 0.8919 0.2344
H8 -0.9441 1.6516 -0.8919   1.8879 -0.8919 0.2344
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5092 1.0934 1.3989 1.3989 2.1289 2.1452 2.1452
C2 1.5092 2.1808 2.3718 2.3718 1.0928 1.0918 1.0918
H3 1.0934 2.1808 2.0319 2.0319 3.0650 2.5258 2.5258
F4 1.3989 2.3718 2.0319 2.2660 2.6075 2.6383 3.3170
F5 1.3989 2.3718 2.0319 2.2660 2.6075 3.3170 2.6383
H6 2.1289 1.0928 3.0650 2.6075 2.6075 1.7803 1.7803
H7 2.1452 1.0918 2.5258 2.6383 3.3170 1.7803 1.7839
H8 2.1452 1.0918 2.5258 3.3170 2.6383 1.7803 1.7839
Maximum atom distance is 3.3170Å 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 109.234 C2 C1 F5 109.234
F4 C1 F5 108.182
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.750 C1 C2 H7 110.088
C1 C2 H8 110.088 C2 C1 H3 112.868
H3 C1 F4 108.608 H3 C1 F5 108.608
H6 C2 H7 109.164 H6 C2 H8 109.164
H7 C2 H8 109.563

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