link1a¶
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
| 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{I,g:link1}\.\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">{X,g:link1a}</record>