return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for MgH (Carbon tetrafluoride) 1A1 TD

1910171554
InChI=1S/CF4/c2-1(3,4)5 INChIKey=TXEYQDLBPFQVAA-UHFFFAOYSA-N

BLYP/6-31+G**


Point group is Td
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
F2 0.7805 0.7805 0.7805   0.7805 0.7805 0.7805
F3 -0.7805 -0.7805 0.7805   0.7805 -0.7805 -0.7805
F4 -0.7805 0.7805 -0.7805   -0.7805 0.7805 -0.7805
F5 0.7805 -0.7805 -0.7805   -0.7805 -0.7805 0.7805
Atom - Atom Distances (Å)
  C1 F2 F3 F4 F5
C1 1.3519 1.3519 1.3519 1.3519
F2 1.3519 2.2077 2.2077 2.2077
F3 1.3519 2.2077 2.2077 2.2077
F4 1.3519 2.2077 2.2077 2.2077
F5 1.3519 2.2077 2.2077 2.2077
Maximum atom distance is 2.2077Å between atoms F2 and F3.
picture of Carbon tetrafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 C1 F3 109.471 F2 C1 F4 109.471
F2 C1 F5 109.471 F3 C1 F4 109.471
F3 C1 F5 109.471 F4 C1 F5 109.471

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