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l202-d3e18159.rst

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l202

/codes/gaussian/l202.orient-d3e18164 /codes/gaussian/l202.distmat-d3e18283 /codes/gaussian/l202.stoich-d3e18357 /codes/gaussian/l202.rotconst-d3e18424


Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source Gaussian log
id l202
name Reorients coordinates, calculates symmetry, and checks variables
repeat *
pattern \s*\(Enter.*l202\..*
pattern2 \s*(Input|Standard)\s*orientation:\s*$\s*\-+\s*
endPattern \s*Leave\sLink\s+202\s.*
endPattern2 \s*Rotational\sconstants\s*\(GHZ\).*
endOffset 1
keep firstandlast
xml:base l202.xml

Template definition

<templateList>  <xi:include href="l202/l202.orient.xml" />  <xi:include href="l202/l202.distmat.xml" />  <xi:include href="l202/l202.stoich.xml" />  <xi:include href="l202/l202.rotconst.xml" />  
    </templateList>