l716.thermochemistry.moi

Table 309. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl716.thermochemistry.moi
repeat*
pattern\s*Principal axes and moments of inertia in atomic units:.*
endPattern\s*Z\s*.*
endOffset1
xml:basel716.thermochemistry.moi.xml


Input. 

 Principal axes and moments of inertia in atomic units:
                           1         2         3
     EIGENVALUES --   621.711322597.891062620.41387
           X            0.99993   0.00000  -0.01211
           Y            0.00000   1.00000  -0.00020
           Z            0.01211   0.00020   0.99993
  

Output text. 

<comment class="example.output" id="l716.thermochemistry.moi">
    <module cmlx:templateRef="l716.thermochemistry.moi">
      <array dataType="xsd:double" size="3" dictRef="cc:moi" cmlx:templateRef="eigen">621.71132 2597.89106 2620.41387</array>
      <matrix rows="3" columns="3" dataType="xsd:double" dictRef="cc:moi.eigenvectors">0.99993 0.0 -0.01211 0.0 1.0 -2.0E-4 0.01211 2.0E-4 0.99993</matrix>
    </module>
  </comment>