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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

MP2/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.8605 -0.5131 -0.3559   -0.8419 -0.5231 -0.3847
C2 0.4944 0.0174 0.3150   0.4884 0.0203 0.3240
F3 -1.9789 0.1186 0.2044   -1.9843 0.0664 0.1728
F4 1.5429 -0.8598 0.0252   1.5624 -0.8237 0.0289
F5 0.8329 1.2788 -0.1784   0.8049 1.3024 -0.1289
H6 -0.8121 -0.3256 -1.4556   -0.7794 -0.3043 -1.4779
H7 -0.9104 -1.6172 -0.1946   -0.8680 -1.6322 -0.2544
H8 0.3468 0.0784 1.4336   0.3206 0.0469 1.4410
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.6023 1.4013 2.4581 2.4719 1.1166 1.1170 2.2382
C2 1.6023 2.4778 1.3975 1.3961 2.2270 2.2148 1.1299
F3 1.4013 2.4778 3.6596 3.0657 2.0771 2.0770 2.6308
F4 2.4581 1.3975 3.6596 2.2626 2.8327 2.5770 2.0723
F5 2.4719 1.3961 3.0657 2.2626 2.6290 3.3803 2.0677
H6 1.1166 2.2270 2.0771 2.8327 2.6290 1.8078 3.1390
H7 1.1170 2.2148 2.0770 2.5770 3.3803 1.8078 2.6659
H8 2.2382 1.1299 2.6308 2.0723 2.0677 3.1390 2.6659
Maximum atom distance is 3.6596Å 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 109.866 C1 C2 F5 110.867
C2 C1 F3 110.991 F4 C2 F5 108.175
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 108.779 C2 C1 H6 108.670
C2 C1 H7 107.736 F3 C1 H6 110.652
F3 C1 H7 110.623 F4 C2 H8 109.706
F5 C2 H8 109.436 H6 C1 H7 108.064

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