|
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 (Carbon tetrafluoride)
1A1 TD
1910171554
InChI=1S/CF4/c2-1(3,4)5 INChIKey=TXEYQDLBPFQVAA-UHFFFAOYSA-N
PBEPBE_cp/3-21G
Point group is Td
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
0.0000 |
| F2 |
0.7858 |
0.7858 |
0.7858 |
| F3 |
-0.7858 |
-0.7858 |
0.7858 |
| F4 |
-0.7858 |
0.7858 |
-0.7858 |
| F5 |
0.7858 |
-0.7858 |
-0.7858 |
Atom - Atom Distances (Å)
| |
C1 |
F2 |
F3 |
F4 |
F5 |
| C1 |
|
1.3610 |
1.3610 |
1.3610 |
1.3610 |
| F2 |
1.3610 |
| 2.2225 |
2.2225 |
2.2225 |
| F3 |
1.3610 |
2.2225 |
| 2.2225 |
2.2225 |
| F4 |
1.3610 |
2.2225 |
2.2225 |
| 2.2225 |
| F5 |
1.3610 |
2.2225 |
2.2225 |
2.2225 |
|
Maximum atom distance is 2.2225Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.