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Geometry for CHF2CH2F (Ethane, 1,1,2-trifluoro) 1A C1

1910171554
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 INChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N

B2PLYP=FULL/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7687 -0.6041 -0.2702   0.7894 -0.5759 -0.2720
C2 0.4715 0.0210 0.3279   -0.4768 0.0000 0.3208
F3 -1.8640 0.1068 0.1435   1.8578 0.1550 0.1756
F4 1.5375 -0.7405 -0.0132   -1.5157 -0.7824 -0.0550
F5 0.6500 1.2572 -0.1821   -0.6822 1.2427 -0.1629
H6 -0.6926 -0.5702 -1.3597   0.7290 -0.5182 -1.3615
H7 -0.8539 -1.6411 0.0621   0.8987 -1.6177 0.0372
H8 0.4181 0.0986 1.4175   -0.4423 0.0532 1.4126
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5121 1.3697 2.3245 2.3420 1.0927 1.0923 2.1796
C2 1.5121 2.3443 1.3537 1.3492 2.1337 2.1423 1.0937
F3 1.3697 2.3443 3.5089 2.7838 2.0223 2.0203 2.6136
F4 2.3245 1.3537 3.5089 2.1925 2.6106 2.5564 2.0010
F5 2.3420 1.3492 2.7838 2.1925 2.5552 3.2743 1.9886
H6 1.0927 2.1337 2.0223 2.6106 2.5552 1.7872 3.0650
H7 1.0923 2.1423 2.0203 2.5564 3.2743 1.7872 2.5459
H8 2.1796 1.0937 2.6136 2.0010 1.9886 3.0650 2.5459
Maximum atom distance is 3.5089Å between atoms F3 and F4.
picture of Ethane, 1,1,2-trifluoro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.280 C1 C2 F5 109.740
C2 C1 F3 108.775 F4 C2 F5 108.422
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 112.545 C2 C1 H6 108.934
C2 C1 H7 109.637 F3 C1 H6 109.923
F3 C1 H7 109.783 F4 C2 H8 109.234
F5 C2 H8 108.538 H6 C1 H7 109.768

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