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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

PBEPBE/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7775 -0.5882 -0.2885   -0.7563 -0.6016 -0.3158
C2 0.4683 0.0205 0.3290   0.4624 0.0248 0.3369
F3 -1.8972 0.1061 0.1536   -1.9016 0.0500 0.1258
F4 1.5425 -0.7716 -0.0059   1.5633 -0.7287 -0.0008
F5 0.6896 1.2724 -0.1816   0.6567 1.2951 -0.1380
H6 -0.7123 -0.5177 -1.3849   -0.6763 -0.5009 -1.4089
H7 -0.8605 -1.6415 0.0192   -0.8148 -1.6644 -0.0364
H8 0.4142 0.1036 1.4267   0.3893 0.0779 1.4354
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5178 1.3897 2.3443 2.3719 1.1006 1.1005 2.2002
C2 1.5178 2.3736 1.3760 1.3701 2.1496 2.1503 1.1022
F3 1.3897 2.3736 3.5535 2.8574 2.0396 2.0364 2.6389
F4 2.3443 1.3760 3.5535 2.2218 2.6553 2.5557 2.0227
F5 2.3719 1.3701 2.8574 2.2218 2.5725 3.3067 2.0071
H6 1.1006 2.1496 2.0396 2.6553 2.5725 1.8046 3.0920
H7 1.1005 2.1503 2.0364 2.5557 3.3067 1.8046 2.5791
H8 2.2002 1.1022 2.6389 2.0227 2.0071 3.0920 2.5791
Maximum atom distance is 3.5535Å 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 108.113 C1 C2 F5 110.328
C2 C1 F3 109.364 F4 C2 F5 108.011
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.279 C2 C1 H6 109.330
C2 C1 H7 109.389 F3 C1 H6 109.429
F3 C1 H7 109.173 F4 C2 H8 108.911
F5 C2 H8 108.068 H6 C1 H7 110.140

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