Construction of Z-Matrix

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Predefined Z-Matrix Structures
Number Atoms
2 Hydrogen
3 Water Carbondioxide
4 Ammonia Phosporus Hydrogenperoxide
Borontrifluoride Acetylene Formaldehyde
5 Methane Diazomethane Carbonsuboxide
6 Ethylene Phosphoruspentafluoride Sulfur S6
7 Sulfurhexafluoride Allene Trisulfurdinitrogendioxide
8 Diborane Ethane (staggered) Ethane (eclipsed)
Tetrahedrane Squaric Acid Difluoride
10 Cyclopentadienyl Anion
12 Benzene [Pb12]2--Ion Cyclobutane
14 Tropylium Cation
16 Cubane
17 Neopentane Neopentane (rotated)
18 Naphthalene
19 [Mg(H2O)6]2+-Ion
20 Fullerene C20
22 Urotropine
24 [B12H12]2--Ion
26 Adamantane
40 Dodecahedrane
60 Fullerene C60
84 Bromofullerene C60Br24
108 Cucurbit[6]uril




Character tables for chemically important point groups Computational Laboratory for Analysis, Modeling and Visualization Jacobs University Bremen

Last update July, 21st 2017 by A. Gelessus