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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

MP3=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7601 -0.6078 -0.2781   -0.7381 -0.6215 -0.3057
C2 0.4654 0.0210 0.3329   0.4595 0.0255 0.3406
F3 -1.8682 0.1014 0.1469   -1.8724 0.0446 0.1200
F4 1.5433 -0.7415 -0.0106   1.5639 -0.6970 -0.0054
F5 0.6459 1.2649 -0.1836   0.6120 1.2871 -0.1407
H6 -0.6848 -0.5546 -1.3672   -0.6480 -0.5377 -1.3916
H7 -0.8488 -1.6485 0.0431   -0.8017 -1.6724 -0.0128
H8 0.4134 0.1003 1.4210   0.3889 0.0746 1.4295
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5068 1.3826 2.3227 2.3436 1.0929 1.0928 2.1830
C2 1.5068 2.3424 1.3643 1.3589 2.1317 2.1444 1.0922
F3 1.3826 2.3424 3.5176 2.7899 2.0306 2.0279 2.6132
F4 2.3227 1.3643 3.5176 2.2048 2.6153 2.5588 2.0087
F5 2.3436 1.3589 2.7899 2.2048 2.5460 3.2823 1.9963
H6 1.0929 2.1317 2.0306 2.6153 2.5460 1.7923 3.0674
H7 1.0928 2.1444 2.0279 2.5588 3.2823 1.7923 2.5593
H8 2.1830 1.0922 2.6132 2.0087 1.9963 3.0674 2.5593
Maximum atom distance is 3.5176Å 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 107.893 C1 C2 F5 109.626
C2 C1 F3 108.248 F4 C2 F5 108.118
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.299 C2 C1 H6 109.129
C2 C1 H7 110.134 F3 C1 H6 109.671
F3 C1 H7 109.457 F4 C2 H8 109.205
F5 C2 H8 108.577 H6 C1 H7 110.171

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