l301

Table of Contents

l301.basis
l301.basis2
l301.dispersion
l301.pcm.nonstandard
l301.pcm.standard

Table 225. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

None implementation


Table attributesTable. Template attributes

AttributeValue
source Gaussian log
idl301
nameGenerates basis set information
repeat*
endOffset1
pattern\s*\(Enter.*l301\..*
endPattern\s*Leave\sLink\s+301\s.*
xml:basel301.xml


Comment. 

 (Enter /opt/G09/g09/l301.exe)
 Basis read from rwf:  (5D, 7F)
 Pseudo-potential data read from rwf file.
 There are   750 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
   750 basis functions,  1534 primitive gaussians,   782 cartesian basis functions
   198 alpha electrons      198 beta electrons
       nuclear repulsion energy      7769.0840580950 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0
 NAtoms=   73 NActive=   73 NUniq=   73 SFac= 7.50D-01 NAtFMM=   80 NAOKFM=F Big=T
 No density basis found on file   724.

...
Leave Link  301 at Tue Dec 20 22:17:53 2011, MaxMem= 2516582400 cpu:       1.0