l101

Table of Contents

l101.title
l101.qmmm
l101.zmatvariables
l101.zmat
l101.zmata
l101.zmat2
l101.redundantcoords
l101.isotope
l101.isotope2
l101.modredundant

Table 121. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl101
nameReads title and molecule specification
repeat*
endOffset1
pattern\s*\(Enter.*l101\..*
endPattern\s*Leave\sLink\s+101\s.*
xml:basel101.xml


Input. 

 (Enter /opt/G09/g09/l101.exe)
 ----
 user-defined title
 ----  
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C
 H                    1    B1
 H                    1    B2       2    A1
 H                    1    B3       2    A2       3    D1       0
 H                    1    B4       2    A3       3    D2       0
       Variables:
  B1                    1.113                    
  B2                    1.113                    
  B3                    1.113                    
  B4                    1.113                    
  A1                  109.47124                  
  A2                  109.47119                  
  D1                  120.                       
  A3                  109.47123                  
  D2                 -120.                       
 
     3 tetrahedral angles replaced.
...
 Leave Link  101 at Fri Sep 13 17:06:48 2013, MaxMem=  419430400 cpu:       0.5
  

Warning

Current template has input comments defined but it's output is missing, please notify data architects.