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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/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3230 0.1626 0.0000   -0.0588 0.0000 0.3568
C2 -0.9012 1.0356 0.0000   1.3677 0.0000 -0.1183
H3 1.2714 0.7247 0.0000   -0.1633 0.0000 1.4543
F4 0.3230 -0.6478 1.0981   -0.7138 1.0981 -0.1206
F5 0.3230 -0.6478 -1.0981   -0.7138 -1.0981 -0.1206
H6 -1.7992 0.4020 0.0000   1.3846 0.0000 -1.2172
H7 -0.9082 1.6725 0.8948   1.8866 0.8948 0.2512
H8 -0.9082 1.6725 -0.8948   1.8866 -0.8948 0.2512
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5036 1.1025 1.3648 1.3648 2.1357 2.1439 2.1439
C2 1.5036 2.1948 2.3534 2.3534 1.0990 1.0983 1.0983
H3 1.1025 2.1948 1.9973 1.9973 3.0876 2.5396 2.5396
F4 1.3648 2.3534 1.9973 2.1962 2.6099 2.6346 3.2972
F5 1.3648 2.3534 1.9973 2.1962 2.6099 3.2972 2.6346
H6 2.1357 1.0990 3.0876 2.6099 2.6099 1.7913 1.7913
H7 2.1439 1.0983 2.5396 2.6346 3.2972 1.7913 1.7895
H8 2.1439 1.0983 2.5396 3.2972 2.6346 1.7913 1.7895
Maximum atom distance is 3.2972Å 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 110.168 C2 C1 F5 110.168
F4 C1 F5 107.140
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.302 C1 C2 H7 109.990
C1 C2 H8 109.990 C2 C1 H3 113.856
H3 C1 F4 107.623 H3 C1 F5 107.623
H6 C2 H7 109.217 H6 C2 H8 109.217
H7 C2 H8 109.106

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