CCL: AIM2000 vs wfx file



 Sent to CCL by: "Ajayakumar M R" [mr.ajay.mr+*+gmail.com]
 Dear  Subscribers,
 I was using bp86/aug-cc-pvtz-pp for optimizing a molecule that having Te
 atoms. The G09 keyword was GenECP. I could optimize the molecule successfully
 and wanted to generate a .WFN file for AIM2000 calculation. The G09 help told
 me that " the .WFN file does not support ECP basis sets.  We have
 added support for this with the .WFX option, Output=WFX, but as far as I
 know this is only supported with Todd Keith's AIMAll package."
 Currently we don't have AIMAll software.
 I wish I could generate AIM2000-contour plots (2D) for analyzing my molecule
 using the same basic set that I have used for optimization. Here I am seeking
 your comments to solve this issue.
 Looking for your kind words.
 Thanking you,
 Dr. Ajayakumar M R
 School of Physical Sciences
 Jawaharlal Nehru University,
 New Delhi-110067
 India.
 Contact: +91 9868637382
 E-mail : mr.ajay.mr{=}gmail.com