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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 KH (Potassium hydride)
1Σ C*V
1910171554
InChI=1S/K.H INChIKey=NTTOTNSKUYCDAV-UHFFFAOYSA-N
MP3/6-31+G**
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| K1 |
0.0000 |
0.0000 |
0.1148 |
| H2 |
0.0000 |
0.0000 |
-2.1821 |
Atom - Atom Distances (Å)
| |
K1 |
H2 |
| K1 |
| 2.2969 |
| H2 |
2.2969 |
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Maximum atom distance is 2.2969Å
between atoms K1 and H2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.