l202.stoich

Gaussian log

Table 221. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Partial implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl202.stoich
namestoichiometry
repeat*
pattern\s*Stoichiometry.*\s*
endPattern\s*Largest concise.*
endOffset1
xml:basel202/l202.stoich.xml


Input. 

 Stoichiometry    CH4
 Framework group  TD[O(C),4C3(H)]
 Deg. of freedom     1
 Full point group                 TD      NOp  24
 Largest Abelian subgroup         D2      NOp   4
 Largest concise Abelian subgroup D2      NOp   4
  

Output text. 

<comment class="example.output" id="l202.stoich">
    <module cmlx:templateRef="l202.stoich">
      <scalar dataType="xsd:string" dictRef="g:stoichiometry" cmlx:templateRef="stoich">CH4</scalar>
      <scalar dataType="xsd:string" dictRef="cc:frameworkgroup" cmlx:templateRef="framework">TD[O(C),4C3(H)]</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:degfreedom" cmlx:templateRef="degfreedom">1</scalar>
      <scalar dataType="xsd:string" dictRef="cc:pointgroup">TD</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">24</scalar>
      <scalar dataType="xsd:string" dictRef="cc:largestabelian">D2</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">4</scalar>
      <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">D2</scalar>
      <scalar dataType="xsd:integer" dictRef="cc:operatorcount">4</scalar>
    </module>
  </comment>