l101 ​
Implementation level ​
| Type | Status |
|---|---|
| CML extraction template |  |
| HTML5 representation |  |
Template attributes ​
| Attribute | Value |
|---|---|
| source | Gaussian log |
| id | l101 |
| name | Reads title and molecule specification |
| repeat | * |
| endOffset | 1 |
| pattern | \s*\(Enter.*l101\..* |
| pattern2 | \s*-+$.+$\s*-+$\s*(Symbolic\sZ-matrix|Charge|Structure\sfrom\sthe\scheckpoint).* |
| endPattern | \s*Leave\sLink\s+101\s.* |
| endPattern2 | .*$\s*(Grad){1,} |
| endPattern3 | .*$\s+.*orientation:.* |
| xml:base | l101.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
Current template has input comments defined but it's output is missing, please notify software developers.
Template definition ​
xml
<templateList> <xi:include href="l101/l101.title.xml" /> <xi:include href="l101/l101.qmmm.xml" /> <xi:include href="l101/l101.zmatvariables.xml" /> <xi:include href="l101/l101.zmat.xml" /> <xi:include href="l101/l101.zmatfragment.xml" /> <xi:include href="l101/l101.zmatcommas.xml" /> <xi:include href="l101/l101.zmat2.xml" /> <xi:include href="l101/l101.redundantcoords.xml" /> <xi:include href="l101/l101.isotope.xml" /> <xi:include href="l101/l101.isotope2.xml" /> <xi:include href="l101/l101.modredundant.xml" />
</templateList>
<record repeat="*" id="rest">{X,x:l101}</record>