|
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 NaLi (lithium sodium)
1Σ C*V
1910171554
InChI=1S/Li.Na INChIKey=VVNXEADCOVSAER-UHFFFAOYSA-N
G3
This model chemistry uses a geometry from
MP2=FULL/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Li1 |
0.0000 |
0.0000 |
-2.3321 |
Na2 |
0.0000 |
0.0000 |
0.6360 |
Atom - Atom Distances (Å)
|
Li1 |
Na2 |
Li1 |
| 2.9682 |
Na2 |
2.9682 |
|
Maximum atom distance is 2.9682Å
between atoms Li1 and Na2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.