link1a

Implementation level

Type	Status
CML extraction template
HTML5 representation

Template attributes

Attribute	Value
source	Gaussian log
id	link1a
name	Second or later Link1
repeat	*
pattern	\sLink1:\s\sProceeding to internal job step number.*
endPattern	\s*
endOffset	0
xml:base	link1a.xml

Input

 Link1:  Proceeding to internal job step number  2.
 ------------------------------------------------------------------
 #N Geom=AllCheck Guess=Read SCRF=Check GenChk RB3LYP/6-31G(d) Freq
 ------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1,46=1/1,3;
 2/40=1/2;
 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2,71=2,74=-5/1,2,3;
 4/5=1,7=1/1;
 5/5=2,38=6/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,18=1,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1,46=1/3;
 99//99;
 ---
 CH4
 ---
 Redundant internal coordinates taken from checkpoint file:
 /tmp/webmo/1/Gau-28333.chk
 Charge =  0 Multiplicity = 1
 C,0,0.,0.,0.
 H,0,0.0000000995,0.0000001925,1.09326594
 H,0,1.0307409799,0.0000001096,-0.3644220738
 H,0,-0.5153703892,-0.8926480531,-0.3644217759
 H,0,-0.5153706902,0.892647751,-0.3644220902
 Recover connectivity data from disk.

Output text

<comment class="example.output.raw" id="link1a">
 </comment>

Template definition

<record id="link1">\sLink1:\s\sProceeding to internal job step number&#123;I,g:link1&#125;\.\s*</record>
<templateList>  <xi:include href="l1/l1.keywords.xml" />  <xi:include href="l1/l1.control.xml" />  <xi:include href="l101/l101.title.xml" />  <xi:include href="l101/l101.redundantcoords.xml" />  <xi:include href="l101/l101.zmatcommas.xml" />
  </templateList>
<record repeat="*" id="link1a">&#123;X,g:link1a&#125;</record>