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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 Fe(C5H5)2 (ferrocene)
1A1' D5H
1910171554
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H; INChIKey=DFRHTHSZMBROSH-UHFFFAOYSA-N
M06-2X/cc-pVDZ
Point group is not available
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Atom - Atom Distances (Å)
Maximum atom distance is 0.0000Å
between atoms and .
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.