|
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 BeCl2 (Beryllium chloride)
1Σg D*H
1910171554
InChI=1S/Be.2ClH/h;2*1H/q+2;;/p-2 INChIKey=LWBPNIJBHRISSS-UHFFFAOYSA-L
B1B95/cc-pVTZ
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Be1 |
0.0000 |
0.0000 |
0.0000 |
Cl2 |
0.0000 |
0.0000 |
1.7949 |
Cl3 |
0.0000 |
0.0000 |
-1.7949 |
Atom - Atom Distances (Å)
|
Be1 |
Cl2 |
Cl3 |
Be1 |
| 1.7949 |
1.7949 |
Cl2 |
1.7949 |
| 3.5898 |
Cl3 |
1.7949 |
3.5898 |
|
Maximum atom distance is 3.5898Å
between atoms Cl2 and Cl3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Cl2 |
Be1 |
Cl3 |
180.000 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.