l716.irspectrum

Gaussian log

Table 325. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl716.irspectrum
nameThermochemistry properties
repeat*
pattern.*$\s+IR Spectrum\s*
endPattern\s*X[\sX]+$\s*
endOffset1
xml:basel716/l716.irspectrum.xml


Input. 

                                                       chlorobz/cl complex basis
                                                             IR Spectrum
 
   33333                                                             1 1 11    1 1   11 11 11                                        
   22211                                                             6 5 44    3 3   21 00 0099 9   8 7 76  6     4 44   3  2  1     
   20099                                                             1 6 88    5 1   08 99 2098 2   2 8 19  1     6 10   0  2  3 75  
   09962                                                             0 4 91    4 4   03 54 6816 8   6 1 06  5     6 62   1  0  8 35  
 
   XXXXX                                                             X X XX    X X   XX XX XXXX X   X X XX  X     X X    X  X    XX  
                                                                     X   X              X    X        X             X                
                                                                     X   X              X             X                              
                                                                     X   X              X             X                              
                                                                     X   X              X             X                              
                                                                     X                  X             X                              
                                                                     X                  X                                            
                                                                     X                                                               
                                                                     X                                                               
 
 

Output text. 

<comment class="example.output" id="l716.irspectrum">
    <module cmlx:templateRef="l716.irspectrum">
      <scalar dataType="xsd:string" dictRef="g:irspectrum" cmlx:templateRef="discard">chlorobz/cl complex basis</scalar>
    </module>
  </comment>