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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

B2PLYP=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6243 0.0000   -0.0255 -0.6237 0.0000
C2 0.9883 -0.5254 0.0000   -0.9661 0.5654 0.0000
Cl3 -1.6751 -0.0576 0.0000   1.6761 -0.0109 0.0000
F4 2.2854 0.0217 0.0000   -2.2844 0.0717 0.0000
H5 0.1047 1.2404 0.8977   -0.1553 -1.2350 0.8977
H6 0.1047 1.2404 -0.8977   -0.1553 -1.2350 -0.8977
H7 0.8843 -1.1444 0.8990   -0.8368 1.1796 0.8990
H8 0.8843 -1.1444 -0.8990   -0.8368 1.1796 -0.8990
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5161 1.8086 2.3635 1.0938 1.0938 2.1722 2.1722
C2 1.5161 2.7042 1.4078 2.1690 2.1690 1.0964 1.0964
Cl3 1.8086 2.7042 3.9613 2.3787 2.3787 2.9223 2.9223
F4 2.3635 1.4078 3.9613 2.6545 2.6545 2.0325 2.0325
H5 1.0938 2.1690 2.3787 2.6545 1.7953 2.5090 3.0859
H6 1.0938 2.1690 2.3787 2.6545 1.7953 3.0859 2.5090
H7 2.1722 1.0964 2.9223 2.0325 2.5090 3.0859 1.7980
H8 2.1722 1.0964 2.9223 2.0325 3.0859 2.5090 1.7980
Maximum atom distance is 3.9613Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 107.814 C2 C1 Cl3 108.534
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.483 C1 C2 H8 111.483
C2 C1 H5 111.392 C2 C1 H6 111.392
Cl3 C1 H5 107.520 Cl3 C1 H6 107.520
F4 C2 H7 107.870 F4 C2 H8 107.870
H5 C1 H6 110.311 H7 C2 H8 110.156

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