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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3226 0.1632 0.0000   0.1884 0.2618 0.1632
C2 -0.8998 1.0367 0.0000   -0.5256 -0.7303 1.0367
H3 1.2734 0.7240 0.0000   0.7439 1.0336 0.7240
F4 0.3226 -0.6487 1.1006   1.0817 -0.3811 -0.6487
F5 0.3226 -0.6487 -1.1006   -0.7049 0.9047 -0.6487
H6 -1.7992 0.4041 0.0000   -1.0510 -1.4604 0.4041
H7 -0.9085 1.6748 0.8949   0.1956 -1.2601 1.6748
H8 -0.9085 1.6748 -0.8949   -1.2570 -0.2147 1.6748
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5024 1.1039 1.3676 1.3676 2.1354 2.1451 2.1451
C2 1.5024 2.1956 2.3550 2.3550 1.0997 1.0991 1.0991
H3 1.1039 2.1956 1.9999 1.9999 3.0893 2.5428 2.5428
F4 1.3676 2.3550 1.9999 2.2011 2.6118 2.6376 3.3009
F5 1.3676 2.3550 1.9999 2.2011 2.6118 3.3009 2.6376
H6 2.1354 1.0997 3.0893 2.6118 2.6118 1.7913 1.7913
H7 2.1451 1.0991 2.5428 2.6376 3.3009 1.7913 1.7897
H8 2.1451 1.0991 2.5428 3.3009 2.6376 1.7913 1.7897
Maximum atom distance is 3.3009Å 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 110.193 C2 C1 F5 110.193
F4 C1 F5 107.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.326 C1 C2 H7 110.125
C1 C2 H8 110.125 C2 C1 H3 113.915
H3 C1 F4 107.553 H3 C1 F5 107.553
H6 C2 H7 109.114 H6 C2 H8 109.114
H7 C2 H8 109.015

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