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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/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7698 -0.5929 -0.2923   -0.7483 -0.6061 -0.3198
C2 0.4630 0.0202 0.3318   0.4571 0.0243 0.3397
F3 -1.8905 0.1054 0.1553   -1.8949 0.0491 0.1274
F4 1.5410 -0.7665 -0.0049   1.5618 -0.7233 0.0005
F5 0.6830 1.2698 -0.1830   0.6499 1.2925 -0.1393
H6 -0.7147 -0.5135 -1.3779   -0.6786 -0.4969 -1.4020
H7 -0.8646 -1.6342 0.0161   -0.8186 -1.6573 -0.0398
H8 0.4183 0.1054 1.4171   0.3932 0.0800 1.4259
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5117 1.3943 2.3351 2.3649 1.0899 1.0901 2.1957
C2 1.5117 2.3617 1.3764 1.3693 2.1436 2.1446 1.0895
F3 1.3943 2.3617 3.5442 2.8449 2.0289 2.0244 2.6311
F4 2.3351 1.3764 3.5442 2.2169 2.6528 2.5574 2.0107
F5 2.3649 1.3693 2.8449 2.2169 2.5615 3.2967 1.9966
H6 1.0899 2.1436 2.0289 2.6528 2.5615 1.7949 3.0787
H7 1.0901 2.1446 2.0244 2.5574 3.2967 1.7949 2.5758
H8 2.1957 1.0895 2.6311 2.0107 1.9966 3.0787 2.5758
Maximum atom distance is 3.5442Å 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 107.811 C1 C2 F5 110.239
C2 C1 F3 108.651 F4 C2 F5 107.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 114.171 C2 C1 H6 109.901
C2 C1 H7 109.971 F3 C1 H6 108.899
F3 C1 H7 108.525 F4 C2 H8 108.695
F5 C2 H8 108.044 H6 C1 H7 110.845

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