link1a

Table of Contents

l1.keywords
l1.control
l101.title
l101.redundantcoords
l101.zmata

Table 177. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idlink1a
nameSecond or later Link1
repeat*
pattern\sLink1:\s\sProceeding to internal job step number.*
endPattern\s*
endOffset0
xml:baselink1a.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>