|
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 GeCl4 (Germanium Tetrachloride)
1A1 TD
1910171554
InChI=1S/Cl4Ge/c1-5(2,3)4 INChIKey=IEXRMSFAVATTJX-UHFFFAOYSA-N
CISD/6-31G
Point group is Td
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Ge1 |
0.0000 |
0.0000 |
0.0000 |
|
0.0000 |
0.0000 |
0.0000 |
Cl2 |
1.2741 |
1.2741 |
1.2741 |
|
0.2059 |
1.2877 |
1.7804 |
Cl3 |
-1.2741 |
-1.2741 |
1.2741 |
|
-1.7603 |
0.6368 |
-1.1688 |
Cl4 |
-1.2741 |
1.2741 |
-1.2741 |
|
1.8127 |
0.1731 |
-1.2468 |
Cl5 |
1.2741 |
-1.2741 |
-1.2741 |
|
-0.2583 |
-2.0976 |
0.6352 |
Atom - Atom Distances (Å)
|
Ge1 |
Cl2 |
Cl3 |
Cl4 |
Cl5 |
Ge1 |
| 2.2069 |
2.2069 |
2.2069 |
2.2069 |
Cl2 |
2.2069 |
| 3.6038 |
3.6038 |
3.6038 |
Cl3 |
2.2069 |
3.6038 |
| 3.6038 |
3.6038 |
Cl4 |
2.2069 |
3.6038 |
3.6038 |
| 3.6038 |
Cl5 |
2.2069 |
3.6038 |
3.6038 |
3.6038 |
|
Maximum atom distance is 3.6038Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
Ge1 |
Cl3 |
109.471 |
|
Cl2 |
Ge1 |
Cl4 |
109.471 |
Cl2 |
Ge1 |
Cl5 |
109.471 |
|
Cl3 |
Ge1 |
Cl4 |
109.471 |
Cl3 |
Ge1 |
Cl5 |
109.471 |
|
Cl4 |
Ge1 |
Cl5 |
109.471 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.