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Geometry for CH2CF2 (Ethene, 1,1-difluoro-) 1A1 C2V

1910171554
InChI=1S/C2H2F2/c1-2(3)4/h1H2 INChIKey=BQCIDUSAKPWEOX-UHFFFAOYSA-N

B3LYP/CEP-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.4203   1.4203 0.0000 0.0000
C2 0.0000 0.0000 0.0656   0.0656 0.0000 0.0000
H3 0.0000 0.9504 1.9568   1.9568 0.9504 0.0000
H4 0.0000 -0.9504 1.9568   1.9568 -0.9504 0.0000
F5 0.0000 1.0946 -0.7041   -0.7041 1.0946 0.0000
F6 0.0000 -1.0946 -0.7041   -0.7041 -1.0946 0.0000
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6
C1 1.3547 1.0913 1.0913 2.3898 2.3898
C2 1.3547 2.1165 2.1165 1.3381 1.3381
H3 1.0913 2.1165 1.9007 2.6647 3.3559
H4 1.0913 2.1165 1.9007 3.3559 2.6647
F5 2.3898 1.3381 2.6647 3.3559 2.1892
F6 2.3898 1.3381 3.3559 2.6647 2.1892
Maximum atom distance is 3.3559Å between atoms H3 and F6.
picture of Ethene, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 125.115 C1 C2 F6 125.115
F5 C2 F6 109.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H3 119.443 C2 C1 H4 119.443
H3 C1 H4 121.114

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