Construction of Z-Matrix

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Predefined Z-Matrix Structures
Number Atoms
2 Hydrogen
3 Water Carbondioxide Hypochloric Acid
4 Ammonia Phosporus Hydrogenperoxide
Borontrifluoride Acetylene Formaldehyde
5 Methane Diazomethane Carbonsuboxide
Chloroform
6 Ethylene Phosphoruspentafluoride Sulfur S6
1,2-Dichloroethylene (cis) 1,2-Dichloroethylene (trans) Brominepentafluoride
Acetonitrile
7 Sulfurhexafluoride Allene Trisulfurdinitrogendioxide
Sulfur S7 1,3-Dichloroallene Boric Acid
8 Diborane Ethane (staggered) Ethane (eclipsed)
Ethane (rotated) Tetrahedrane Squaric Acid Difluoride
Squaric Acid Dianion 1,1,1-Trichloroethane 1,1,1-Trichloroethane (rotated)
1,2-Dibromo-1,2-dichloroethane (staggered) Oxalic Acid Sulfur S8
Iodineheptafluoride
9 Cyclopropane
10 Cyclopentadienyl Anion Butadiene (s-cis) Butadiene (s-trans)
11 Propane
12 Benzene [Pb12]2--Ion Cyclobutane
Borazine Prismane Trioxane
14 Tropylium Cation Butane Pentaborane(9)
15 Cyclopentane (envelope) Cyclopentane (half-chair) 1,3,5-Trihydroxybenzene
16 Cubane Cyclooctatetraene 1,3,5,7-Tetrachlorocyclooctatetraene
1,5-Diazanaphthalene
17 Neopentane Neopentane (rotated) Tetrachloroneopentane
18 Naphthalene Azulene Fulvalene
Cyclohexane (chair) Cyclohexane (boat)
19 [Mg(H2O)6]2+-Ion
20 Fullerene C20 Triquinacene Pentaprismane
21 Ferrocene (staggered) Ferrocene (eclipsed) Ferrocene (rotated)
1-Azabicyclo[2.2.2]octane
22 Urotropine Biphenyl
24 [B12H12]2--Ion Sulflower
25 Bis(benzene)chromium (staggered) Bis(benzene)chromium (eclipsed) Bis(benzene)chromium (rotated)
26 Adamantane Twistane
30 Hexamethylbenzene Corannulene
33 Sumanene
34 Triptycene
35 Triphenylmethane
36 [18]Annulene Coronene
40 Dodecahedrane
45 Tetraphenylmethane
48 Superphane
60 Fullerene C60
72 Kekulene
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 February, 9th 2018 by A. Gelessus