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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for GeCl4 (Germanium Tetrachloride)
1A1 TD
1910171554
InChI=1S/Cl4Ge/c1-5(2,3)4 INChIKey=IEXRMSFAVATTJX-UHFFFAOYSA-N
QCISD/6-311G*
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 |
1.2256 |
1.2256 |
1.2256 |
|
1.0399 |
0.8628 |
1.6371 |
Cl3 |
-1.2256 |
-1.2256 |
1.2256 |
|
-1.0399 |
-1.7307 |
0.6552 |
Cl4 |
-1.2256 |
1.2256 |
-1.2256 |
|
1.3866 |
-0.5386 |
-1.5144 |
Cl5 |
1.2256 |
-1.2256 |
-1.2256 |
|
-1.3866 |
1.4065 |
-0.7780 |
Atom - Atom Distances (Å)
|
Ge1 |
Cl2 |
Cl3 |
Cl4 |
Cl5 |
Ge1 |
| 2.1227 |
2.1227 |
2.1227 |
2.1227 |
Cl2 |
2.1227 |
| 3.4664 |
3.4664 |
3.4664 |
Cl3 |
2.1227 |
3.4664 |
| 3.4664 |
3.4664 |
Cl4 |
2.1227 |
3.4664 |
3.4664 |
| 3.4664 |
Cl5 |
2.1227 |
3.4664 |
3.4664 |
3.4664 |
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Maximum atom distance is 3.4664Å
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.