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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for C8H7N (Indole)
1A' CS
1910171554
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H INChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N
mPW1PW91/TZVP
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.