Construction of Z-Matrix

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Predefined Z-Matrix Structures
Number Atoms
2 Hydrogen Hydrogen Chloride
3 Water Carbondioxide Hypochloric Acid
Hydrogen Cyanide
4 Ammonia Phosporus Hydrogenperoxide
Borontrifluoride Acetylene Formaldehyde
[Al4]2--Ion Formylfluoride Fluoroacetylene
5 Methane Diazomethane Carbonsuboxide
Chloroform Xenontetrafluoride Cyanoacetylene
6 Ethylene Phosphoruspentafluoride Sulfur S6
1,2-Dichloroethylene (cis) 1,2-Dichloroethylene (trans) Brominepentafluoride
Acetonitrile Fluorodiacetylene Diacetylene
7 Sulfurhexafluoride Allene Trisulfurdinitrogendioxide
Sulfur S7 1,3-Dichloroallene Boric Acid
Sulfurchloridepentafluoride Xenonhexafluoride
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 Acrolein
9 Cyclopropane Nickeltetracarbonyl
10 Cyclopentadienyl Anion Butadiene (s-cis) Butadiene (s-trans)
Phosphorustrioxide
11 Propane Decaphosphatitanocene Dianion Ironpentacarbonyl
12 Benzene [Pb12]2--Ion Cyclobutane
Borazine Prismane Trioxane
Ethylenetetracarboxylic Acid Dianhydride
13 Tungstenhexacarbonyl
14 Tropylium Cation Butane Pentaborane(9)
Heptabromoheptaborane Dianion Phosphoruspentoxide
15 Cyclopentane (envelope) Cyclopentane (half-chair) 1,3,5-Trihydroxybenzene
16 Cubane Cyclooctatetraene Cyclooctatetraene Dianion
1,3,5,7-Tetrachlorocyclooctatetraene 1,5-Diazanaphthalene Tartaric Acid (meso)
Tetrahydroxy-1,4-benzoquinone Biscarbonate
17 Neopentane Neopentane (rotated) Tetrachloroneopentane
Qinoline
18 Naphthalene Azulene Fulvalene
Cyclohexane (chair) Cyclohexane (boat)
19 [Mg(H2O)6]2+-Ion
20 Fullerene C20 Triquinacene Pentaprismane
Diironnonacarbonyl Tricyclo[3.1.1.1(2,4)]octane
21 Ferrocene (staggered) Ferrocene (eclipsed) Ferrocene (rotated)
1-Azabicyclo[2.2.2]octane
22 Urotropine Biphenyl
24 [B12H12]2--Ion Sulflower Anthracene
Phenanthrene
25 Bis(benzene)chromium (staggered) Bis(benzene)chromium (eclipsed) Bis(benzene)chromium (rotated)
26 Adamantane Twistane Pyrene
28 Fullerene C28 (Td) Tetrairidiumdodecacarbonyl
29 Tricyclo[3.3.3.0(1,5)]undecane
30 Hexamethylbenzene Corannulene Chrysene
Triphenylene Tetracene
31 Bicyclo[3.3.3]undecane
33 Uranocene (staggered) Uranocene (eclipsed) Uranocene (rotated)
Sumanene
34 Triptycene
35 Triphenylmethane
36 [18]Annulene Coronene
40 Dodecahedrane Pagodane
45 Tetraphenylmethane
48 Superphane Dianthracene
52 Octamethylsilsesquioxane Octamethylsilsesquioxane (rotated)
60 Fullerene C60
70 Fullerene C70
72 Kekulene
80 Dodecaethyleneoctamine
84 Bromofullerene C60Br24
96 Fullerene C60F36
108 Cucurbit[6]uril




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

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement