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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

HSEh1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3225 0.1636 0.0000   -0.0579 0.0000 0.3570
C2 -0.8993 1.0323 0.0000   1.3639 0.0000 -0.1182
H3 1.2718 0.7263 0.0000   -0.1627 0.0000 1.4556
F4 0.3225 -0.6464 1.0975   -0.7123 1.0975 -0.1204
F5 0.3225 -0.6464 -1.0975   -0.7123 -1.0975 -0.1204
H6 -1.7951 0.3951 0.0000   1.3771 0.0000 -1.2174
H7 -0.9104 1.6695 0.8948   1.8853 0.8948 0.2484
H8 -0.9104 1.6695 -0.8948   1.8853 -0.8948 0.2484
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.4991 1.1036 1.3641 1.3641 2.1302 2.1420 2.1420
C2 1.4991 2.1926 2.3485 2.3485 1.0994 1.0986 1.0986
H3 1.1036 2.1926 1.9976 1.9976 3.0848 2.5401 2.5401
F4 1.3641 2.3485 1.9976 2.1950 2.6026 2.6314 3.2944
F5 1.3641 2.3485 1.9976 2.1950 2.6026 3.2944 2.6314
H6 2.1302 1.0994 3.0848 2.6026 2.6026 1.7910 1.7910
H7 2.1420 1.0986 2.5401 2.6314 3.2944 1.7910 1.7897
H8 2.1420 1.0986 2.5401 3.2944 2.6314 1.7910 1.7897
Maximum atom distance is 3.2944Å 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 110.127 C2 C1 F5 110.127
F4 C1 F5 107.138
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.164 C1 C2 H7 110.140
C1 C2 H8 110.140 C2 C1 H3 113.932
H3 C1 F4 107.626 H3 C1 F5 107.626
H6 C2 H7 109.146 H6 C2 H8 109.146
H7 C2 H8 109.083

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